1H-1,2,4-triazol-5-amine

C2H4N4 — CID 1639

IUPAC1H-1,2,4-triazol-5-amine
SMILESNc1ncn[nH]1
InChIInChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
InChIKeyKLSJWNVTNUYHDU-UHFFFAOYSA-N
MW84.08 g/mol
LogP-0.61
Rot. Bonds

About 1H-1,2,4-triazol-5-amine

1H-1,2,4-triazol-5-amine (PubChem CID 1639) has the molecular formula C2H4N4 and a molecular weight of 84.08 g/mol. Its IUPAC name is 1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name1H-1,2,4-triazol-5-amine
PubChem CID1639
Molecular FormulaC2H4N4
Molecular Weight84.08 g/mol
Exact Mass84.04
IUPAC Name1H-1,2,4-triazol-5-amine
SMILESNc1ncn[nH]1
InChIInChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
InChIKeyKLSJWNVTNUYHDU-UHFFFAOYSA-N
XLogP-0.61
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.08
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-1,2,4-Triazole
CID 9257
4-Amino-1,2,4-triazole
CID 11432
1H-1,2,4-Triazole, 5-chloro-
CID 81265
3-Hydrazino-4H-1,2,4-triazol-4-amine
CID 424513
4-Amino-1,2,4-triazole hydrochloride
CID 2774270
1-methyl-1H-1,2,4-triazol-5-amine
CID 566597
1H-1,2,4-Triazole, 3-bromo-
CID 139000
3-hydrazinyl-4H-1,2,4-triazole
CID 427861
N-Methyl-1H-1,2,4-triazol-5-amine
CID 566828
3,4-Diamino-1,2,4-triazole
CID 567144
1H-1,2,4-triazol-1-amine
CID 11708047
1H-1,2,4-triazole-1-carboximidamide hydrochloride
CID 16218515

Frequently Asked Questions

What is the IUPAC name of 1H-1,2,4-triazol-5-amine?
The IUPAC name of 1H-1,2,4-triazol-5-amine (CID 1639) is 1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 1H-1,2,4-triazol-5-amine?
The canonical SMILES for 1H-1,2,4-triazol-5-amine is Nc1ncn[nH]1.
What is the InChIKey of 1H-1,2,4-triazol-5-amine?
The InChIKey is KLSJWNVTNUYHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6).
What are the key properties of 1H-1,2,4-triazol-5-amine?
1H-1,2,4-triazol-5-amine has a molecular weight of 84.08 g/mol, XLogP of -0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 1639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).