9H-[1,2,4]triazolo[4,3-a]azepin-9-amine

C7H8N4 — CID 91240957

IUPAC9H-[1,2,4]triazolo[4,3-a]azepin-9-amine
SMILESNC1C=CC=Cn2cnnc21
InChIInChI=1S/C7H8N4/c8-6-3-1-2-4-11-5-9-10-7(6)11/h1-6H,8H2
InChIKeyWDCFHRJIUQMJKE-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.32
Rot. Bonds

About 9H-[1,2,4]triazolo[4,3-a]azepin-9-amine

9H-[1,2,4]triazolo[4,3-a]azepin-9-amine (PubChem CID 91240957) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 9H-[1,2,4]triazolo[4,3-a]azepin-9-amine.

Molecular Properties

Compound Name9H-[1,2,4]triazolo[4,3-a]azepin-9-amine
PubChem CID91240957
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name9H-[1,2,4]triazolo[4,3-a]azepin-9-amine
SMILESNC1C=CC=Cn2cnnc21
InChIInChI=1S/C7H8N4/c8-6-3-1-2-4-11-5-9-10-7(6)11/h1-6H,8H2
InChIKeyWDCFHRJIUQMJKE-UHFFFAOYSA-N
XLogP0.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-[1,2,4]triazolo[4,3-a]azepine
CID 91201848
9H-[1,2,4]triazolo[4,3-a]azepin-9-ylcarbamic acid
CID 91359527
6-Chloro-2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,2-dihydropyridine
CID 155049497
ethane;(E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine
CID 162735800
ethane;(E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine
CID 162736478
(E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine
CID 162735801

Frequently Asked Questions

What is the IUPAC name of 9H-[1,2,4]triazolo[4,3-a]azepin-9-amine?
The IUPAC name of 9H-[1,2,4]triazolo[4,3-a]azepin-9-amine (CID 91240957) is 9H-[1,2,4]triazolo[4,3-a]azepin-9-amine.
What is the SMILES notation for 9H-[1,2,4]triazolo[4,3-a]azepin-9-amine?
The canonical SMILES for 9H-[1,2,4]triazolo[4,3-a]azepin-9-amine is NC1C=CC=Cn2cnnc21.
What is the InChIKey of 9H-[1,2,4]triazolo[4,3-a]azepin-9-amine?
The InChIKey is WDCFHRJIUQMJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c8-6-3-1-2-4-11-5-9-10-7(6)11/h1-6H,8H2.
What are the key properties of 9H-[1,2,4]triazolo[4,3-a]azepin-9-amine?
9H-[1,2,4]triazolo[4,3-a]azepin-9-amine has a molecular weight of 148.17 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-[1,2,4]triazolo[4,3-a]azepin-9-amine is sourced from PubChem (CID 91240957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).