5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine

C6H10N4 — CID 86775258

IUPAC5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine
SMILESc1nnn2c1CNCCC2
InChIInChI=1S/C6H10N4/c1-2-7-4-6-5-8-9-10(6)3-1/h5,7H,1-4H2
InChIKeyLLFGXZAZFFCZBM-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.23
Rot. Bonds

About 5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine

5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine (PubChem CID 86775258) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine
PubChem CID86775258
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine
SMILESc1nnn2c1CNCCC2
InChIInChI=1S/C6H10N4/c1-2-7-4-6-5-8-9-10(6)3-1/h5,7H,1-4H2
InChIKeyLLFGXZAZFFCZBM-UHFFFAOYSA-N
XLogP-0.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5,6,7-Tetrahydrotriazolo[1,5-a]pyrazine
CID 16228907
4H,5H,6H,7H-(1,2,3)triazolo(1,5-a)pyrazine hydrochloride
CID 43810469
(1-Methyl-1H-1,2,3-triazol-5-YL)methanamine
CID 55262944
(1-ethyl-1H-1,2,3-triazol-5-yl)methanamine
CID 72214389
4H,5H,6H,7H,8H-(1,2,3)triazolo(1,5-a)(1,4)diazepine hydrochloride
CID 86775257
ethyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine
CID 62755740
N-((1-methyl-1H-1,2,3-triazol-4-yl)methyl)cyclopropanamine
CID 62755384
methyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine
CID 55211101
N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]ethanamine
CID 80698065
5,6,7,8-tetrahydro-4H-triazolo[1,5-d][1,4]diazepine
CID 178324114
N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-2,2,2-trifluoroethanamine
CID 65944364
N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]propan-1-amine
CID 80698205

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine?
The IUPAC name of 5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine (CID 86775258) is 5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine is c1nnn2c1CNCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine?
The InChIKey is LLFGXZAZFFCZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-2-7-4-6-5-8-9-10(6)3-1/h5,7H,1-4H2.
What are the key properties of 5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine?
5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine has a molecular weight of 138.17 g/mol, XLogP of -0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 86775258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).