6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-amine

C7H12N4 — CID 67391168

IUPAC6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-amine
SMILESNC1CCCCn2cnnc21
InChIInChI=1S/C7H12N4/c8-6-3-1-2-4-11-5-9-10-7(6)11/h5-6H,1-4,8H2
InChIKeyYFTDWFJDKSFXJP-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.46
Rot. Bonds

About 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-amine

6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-amine (PubChem CID 67391168) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-amine.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-amine
PubChem CID67391168
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-amine
SMILESNC1CCCCn2cnnc21
InChIInChI=1S/C7H12N4/c8-6-3-1-2-4-11-5-9-10-7(6)11/h5-6H,1-4,8H2
InChIKeyYFTDWFJDKSFXJP-UHFFFAOYSA-N
XLogP0.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-amine?
The IUPAC name of 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-amine (CID 67391168) is 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-amine.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-amine?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-amine is NC1CCCCn2cnnc21.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-amine?
The InChIKey is YFTDWFJDKSFXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c8-6-3-1-2-4-11-5-9-10-7(6)11/h5-6H,1-4,8H2.
What are the key properties of 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-amine?
6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-amine has a molecular weight of 152.20 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-amine is sourced from PubChem (CID 67391168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).