8-[(1-ethylpyrazol-4-yl)methyl]-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

C17H24N8 — CID 155873761

IUPAC8-[(1-ethylpyrazol-4-yl)methyl]-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCCn1cc(CN2CCCn3cnc(Cn4nncc4C)c3C2)cn1
InChIInChI=1S/C17H24N8/c1-3-24-10-15(8-20-24)9-22-5-4-6-23-13-18-16(17(23)12-22)11-25-14(2)7-19-21-25/h7-8,10,13H,3-6,9,11-12H2,1-2H3
InChIKeyVSQKDUWOOHHUMG-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.45
Rot. Bonds5

About 8-[(1-ethylpyrazol-4-yl)methyl]-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

8-[(1-ethylpyrazol-4-yl)methyl]-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (PubChem CID 155873761) has the molecular formula C17H24N8 and a molecular weight of 340.44 g/mol. Its IUPAC name is 8-[(1-ethylpyrazol-4-yl)methyl]-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name8-[(1-ethylpyrazol-4-yl)methyl]-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
PubChem CID155873761
Molecular FormulaC17H24N8
Molecular Weight340.44 g/mol
Exact Mass340.21
IUPAC Name8-[(1-ethylpyrazol-4-yl)methyl]-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCCn1cc(CN2CCCn3cnc(Cn4nncc4C)c3C2)cn1
InChIInChI=1S/C17H24N8/c1-3-24-10-15(8-20-24)9-22-5-4-6-23-13-18-16(17(23)12-22)11-25-14(2)7-19-21-25/h7-8,10,13H,3-6,9,11-12H2,1-2H3
InChIKeyVSQKDUWOOHHUMG-UHFFFAOYSA-N
XLogP1.45
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

formic acid;8-[(3-methoxyphenyl)methyl]-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 155876825
1-(2-chloroethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane
CID 63388085
1-[(1-ethylpyrazol-4-yl)methyl]-4-(6-methylpyrazin-2-yl)-1,4-diazepane
CID 133470421
2-[[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanol;2,2,2-trifluoroacetic acid
CID 155847445
3-(2-chloroethyl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 55183859
(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124970369
1-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrrole-2-carboxylic acid
CID 102604735
8-[(3,4-difluorophenyl)methyl]-1-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 155871319
1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 62126352
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923
3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine
CID 62125988
(2R)-1-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 95307988

Frequently Asked Questions

What is the IUPAC name of 8-[(1-ethylpyrazol-4-yl)methyl]-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of 8-[(1-ethylpyrazol-4-yl)methyl]-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (CID 155873761) is 8-[(1-ethylpyrazol-4-yl)methyl]-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for 8-[(1-ethylpyrazol-4-yl)methyl]-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for 8-[(1-ethylpyrazol-4-yl)methyl]-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is CCn1cc(CN2CCCn3cnc(Cn4nncc4C)c3C2)cn1.
What is the InChIKey of 8-[(1-ethylpyrazol-4-yl)methyl]-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is VSQKDUWOOHHUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8/c1-3-24-10-15(8-20-24)9-22-5-4-6-23-13-18-16(17(23)12-22)11-25-14(2)7-19-21-25/h7-8,10,13H,3-6,9,11-12H2,1-2H3.
What are the key properties of 8-[(1-ethylpyrazol-4-yl)methyl]-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
8-[(1-ethylpyrazol-4-yl)methyl]-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine has a molecular weight of 340.44 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-ethylpyrazol-4-yl)methyl]-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 155873761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).