4-methyltriazol-1-amine

C3H6N4 — CID 18688999

IUPAC4-methyltriazol-1-amine
SMILESCc1cn(N)nn1
InChIInChI=1S/C3H6N4/c1-3-2-7(4)6-5-3/h2H,4H2,1H3
InChIKeyPSTGSSGTRNEEBA-UHFFFAOYSA-N
MW98.11 g/mol
LogP-0.70
Rot. Bonds

About 4-methyltriazol-1-amine

4-methyltriazol-1-amine (PubChem CID 18688999) has the molecular formula C3H6N4 and a molecular weight of 98.11 g/mol. Its IUPAC name is 4-methyltriazol-1-amine.

Molecular Properties

Compound Name4-methyltriazol-1-amine
PubChem CID18688999
Molecular FormulaC3H6N4
Molecular Weight98.11 g/mol
Exact Mass98.06
IUPAC Name4-methyltriazol-1-amine
SMILESCc1cn(N)nn1
InChIInChI=1S/C3H6N4/c1-3-2-7(4)6-5-3/h2H,4H2,1H3
InChIKeyPSTGSSGTRNEEBA-UHFFFAOYSA-N
XLogP-0.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.11
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyltriazol-1-amine?
The IUPAC name of 4-methyltriazol-1-amine (CID 18688999) is 4-methyltriazol-1-amine.
What is the SMILES notation for 4-methyltriazol-1-amine?
The canonical SMILES for 4-methyltriazol-1-amine is Cc1cn(N)nn1.
What is the InChIKey of 4-methyltriazol-1-amine?
The InChIKey is PSTGSSGTRNEEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4/c1-3-2-7(4)6-5-3/h2H,4H2,1H3.
What are the key properties of 4-methyltriazol-1-amine?
4-methyltriazol-1-amine has a molecular weight of 98.11 g/mol, XLogP of -0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyltriazol-1-amine is sourced from PubChem (CID 18688999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).