1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]tetrazol-5-amine

C6H10N8 — CID 131185833

IUPAC1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]tetrazol-5-amine
SMILESCc1nncn1CCn1nnnc1N
InChIInChI=1S/C6H10N8/c1-5-9-8-4-13(5)2-3-14-6(7)10-11-12-14/h4H,2-3H2,1H3,(H2,7,10,12)
InChIKeyIVYFFVRJJWICTN-UHFFFAOYSA-N
MW194.20 g/mol
LogP-1.14
Rot. Bonds3

About 1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]tetrazol-5-amine

1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]tetrazol-5-amine (PubChem CID 131185833) has the molecular formula C6H10N8 and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]tetrazol-5-amine
PubChem CID131185833
Molecular FormulaC6H10N8
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]tetrazol-5-amine
SMILESCc1nncn1CCn1nnnc1N
InChIInChI=1S/C6H10N8/c1-5-9-8-4-13(5)2-3-14-6(7)10-11-12-14/h4H,2-3H2,1H3,(H2,7,10,12)
InChIKeyIVYFFVRJJWICTN-UHFFFAOYSA-N
XLogP-1.14
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]tetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]tetrazol-5-amine?
The IUPAC name of 1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]tetrazol-5-amine (CID 131185833) is 1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]tetrazol-5-amine.
What is the SMILES notation for 1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]tetrazol-5-amine?
The canonical SMILES for 1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]tetrazol-5-amine is Cc1nncn1CCn1nnnc1N.
What is the InChIKey of 1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]tetrazol-5-amine?
The InChIKey is IVYFFVRJJWICTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N8/c1-5-9-8-4-13(5)2-3-14-6(7)10-11-12-14/h4H,2-3H2,1H3,(H2,7,10,12).
What are the key properties of 1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]tetrazol-5-amine?
1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]tetrazol-5-amine has a molecular weight of 194.20 g/mol, XLogP of -1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]tetrazol-5-amine is sourced from PubChem (CID 131185833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).