8-(cyclopropylmethyl)-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid

C17H23F3N6O2 — CID 155838848

IUPAC8-(cyclopropylmethyl)-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
SMILESCc1cnnn1Cc1ncn2c1CN(CC1CC1)CCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N6.C2HF3O2/c1-12-7-17-18-21(12)9-14-15-10-19(8-13-3-4-13)5-2-6-20(15)11-16-14;3-2(4,5)1(6)7/h7,11,13H,2-6,8-10H2,1H3;(H,6,7)
InChIKeyXKAJLZGOQOSVSB-UHFFFAOYSA-N
MW400.41 g/mol
LogP2.08
Rot. Bonds4

About 8-(cyclopropylmethyl)-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid

8-(cyclopropylmethyl)-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid (PubChem CID 155838848) has the molecular formula C17H23F3N6O2 and a molecular weight of 400.41 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
PubChem CID155838848
Molecular FormulaC17H23F3N6O2
Molecular Weight400.41 g/mol
Exact Mass400.18
IUPAC Name8-(cyclopropylmethyl)-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
SMILESCc1cnnn1Cc1ncn2c1CN(CC1CC1)CCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N6.C2HF3O2/c1-12-7-17-18-21(12)9-14-15-10-19(8-13-3-4-13)5-2-6-20(15)11-16-14;3-2(4,5)1(6)7/h7,11,13H,2-6,8-10H2,1H3;(H,6,7)
InChIKeyXKAJLZGOQOSVSB-UHFFFAOYSA-N
XLogP2.08
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(cyclopropylmethyl)-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(cyclopropylmethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 118744510
2-Cyclopropyl-1-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118745062
(1-Fluorocyclopropyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 131682957
(3,3-Difluorocyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 131683004
N,N-dimethyl-1-[7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine;bis(2,2,2-trifluoroacetic acid)
CID 155834356
6-(Cyclopropylmethoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155837746
7-(cyclopropylmethyl)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155848568
7-(Oxolan-3-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155854106
5-Cyclopropylsulfonyl-3-(imidazol-1-ylmethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155857055
4-(Imidazol-1-ylmethyl)-1-(2-methylidenebutyl)triazole;2,2,2-trifluoroacetic acid
CID 167763611
2-Cyclopropyl-1-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
CID 97405510
8-(Cyclopropylmethyl)-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 97519554

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-(cyclopropylmethyl)-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid (CID 155838848) is 8-(cyclopropylmethyl)-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-(cyclopropylmethyl)-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-(cyclopropylmethyl)-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid is Cc1cnnn1Cc1ncn2c1CN(CC1CC1)CCC2.O=C(O)C(F)(F)F.
What is the InChIKey of 8-(cyclopropylmethyl)-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid?
The InChIKey is XKAJLZGOQOSVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6.C2HF3O2/c1-12-7-17-18-21(12)9-14-15-10-19(8-13-3-4-13)5-2-6-20(15)11-16-14;3-2(4,5)1(6)7/h7,11,13H,2-6,8-10H2,1H3;(H,6,7).
What are the key properties of 8-(cyclopropylmethyl)-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid?
8-(cyclopropylmethyl)-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid has a molecular weight of 400.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155838848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).