(1-fluorocyclopropyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone

C15H19FN6O — CID 131682957

IUPAC(1-fluorocyclopropyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
SMILESCc1cnnn1Cc1ncn2c1CN(C(=O)C1(F)CC1)CCC2
InChIInChI=1S/C15H19FN6O/c1-11-7-18-19-22(11)8-12-13-9-20(14(23)15(16)3-4-15)5-2-6-21(13)10-17-12/h7,10H,2-6,8-9H2,1H3
InChIKeyKRYBSPWTSQKEJE-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.07
Rot. Bonds3

About (1-fluorocyclopropyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone

(1-fluorocyclopropyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone (PubChem CID 131682957) has the molecular formula C15H19FN6O and a molecular weight of 318.36 g/mol. Its IUPAC name is (1-fluorocyclopropyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclopropyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
PubChem CID131682957
Molecular FormulaC15H19FN6O
Molecular Weight318.36 g/mol
Exact Mass318.16
IUPAC Name(1-fluorocyclopropyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
SMILESCc1cnnn1Cc1ncn2c1CN(C(=O)C1(F)CC1)CCC2
InChIInChI=1S/C15H19FN6O/c1-11-7-18-19-22(11)8-12-13-9-20(14(23)15(16)3-4-15)5-2-6-21(13)10-17-12/h7,10H,2-6,8-9H2,1H3
InChIKeyKRYBSPWTSQKEJE-UHFFFAOYSA-N
XLogP1.07
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-Pyrimidin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methyl]pyrrolidin-2-one
CID 97405517
2-Cyclopropyl-1-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone
CID 97467153
[3-[(Dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclopropyl)methanone
CID 131682974
(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
(1-Fluorocyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 131683052
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
N,N-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]acetamide
CID 97390226
Cyclobutyl-[1-(imidazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 97413598
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
1-[[5-[(3-Methylimidazol-4-yl)methyl]-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl]methyl]pyrrolidin-2-one
CID 97405516
8-(Cyclopropylmethyl)-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 97519554
1-[1-[(5-Methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carbonyl]cyclopentane-1-carbonitrile
CID 131682967

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclopropyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The IUPAC name of (1-fluorocyclopropyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone (CID 131682957) is (1-fluorocyclopropyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone.
What is the SMILES notation for (1-fluorocyclopropyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The canonical SMILES for (1-fluorocyclopropyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone is Cc1cnnn1Cc1ncn2c1CN(C(=O)C1(F)CC1)CCC2.
What is the InChIKey of (1-fluorocyclopropyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The InChIKey is KRYBSPWTSQKEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O/c1-11-7-18-19-22(11)8-12-13-9-20(14(23)15(16)3-4-15)5-2-6-21(13)10-17-12/h7,10H,2-6,8-9H2,1H3.
What are the key properties of (1-fluorocyclopropyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
(1-fluorocyclopropyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone has a molecular weight of 318.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclopropyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone is sourced from PubChem (CID 131682957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).