1,2,4-triazol-1-amine

C2H4N4 — CID 11708047

IUPAC1,2,4-triazol-1-amine
SMILESNn1cncn1
InChIInChI=1S/C2H4N4/c3-6-2-4-1-5-6/h1-2H,3H2
InChIKeyNHAZGSRLKBTDBF-UHFFFAOYSA-N
MW84.08 g/mol
LogP-1.01
Rot. Bonds

About 1,2,4-triazol-1-amine

1,2,4-triazol-1-amine (PubChem CID 11708047) has the molecular formula C2H4N4 and a molecular weight of 84.08 g/mol. Its IUPAC name is 1,2,4-triazol-1-amine.

Molecular Properties

Compound Name1,2,4-triazol-1-amine
PubChem CID11708047
Molecular FormulaC2H4N4
Molecular Weight84.08 g/mol
Exact Mass84.04
IUPAC Name1,2,4-triazol-1-amine
SMILESNn1cncn1
InChIInChI=1S/C2H4N4/c3-6-2-4-1-5-6/h1-2H,3H2
InChIKeyNHAZGSRLKBTDBF-UHFFFAOYSA-N
XLogP-1.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.08
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Amitrole
CID 1639
1H-1,2,4-Triazole
CID 9257
4-Amino-1,2,4-triazole
CID 11432
Sodium 1H-1,2,4-triazolate
CID 4649906
3-Hydrazino-4H-1,2,4-triazol-4-amine
CID 424513
4-Amino-1,2,4-triazole hydrochloride
CID 2774270
1H-1,2,4-Triazole, 1-methyl-
CID 22459
1-methyl-1H-1,2,4-triazol-5-amine
CID 566597
4-Methyl-4H-1,2,4-triazol-3-amine
CID 290276
3-hydrazinyl-4H-1,2,4-triazole
CID 427861
3,4-Diamino-1,2,4-triazole
CID 567144
1H-1,2,4-triazole-1-carboximidamide hydrochloride
CID 16218515

Frequently Asked Questions

What is the IUPAC name of 1,2,4-triazol-1-amine?
The IUPAC name of 1,2,4-triazol-1-amine (CID 11708047) is 1,2,4-triazol-1-amine.
What is the SMILES notation for 1,2,4-triazol-1-amine?
The canonical SMILES for 1,2,4-triazol-1-amine is Nn1cncn1.
What is the InChIKey of 1,2,4-triazol-1-amine?
The InChIKey is NHAZGSRLKBTDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4/c3-6-2-4-1-5-6/h1-2H,3H2.
What are the key properties of 1,2,4-triazol-1-amine?
1,2,4-triazol-1-amine has a molecular weight of 84.08 g/mol, XLogP of -1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-triazol-1-amine is sourced from PubChem (CID 11708047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).