1H-1,2,4-triazole

C2H3N3 — CID 9257

IUPAC1H-1,2,4-triazole
SMILESc1nc[nH]n1
InChIInChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
InChIKeyNSPMIYGKQJPBQR-UHFFFAOYSA-N
MW69.07 g/mol
LogP-0.20
Rot. Bonds

About 1H-1,2,4-triazole

1H-1,2,4-triazole (PubChem CID 9257) has the molecular formula C2H3N3 and a molecular weight of 69.07 g/mol. Its IUPAC name is 1H-1,2,4-triazole.

Molecular Properties

Compound Name1H-1,2,4-triazole
PubChem CID9257
Molecular FormulaC2H3N3
Molecular Weight69.07 g/mol
Exact Mass69.03
IUPAC Name1H-1,2,4-triazole
SMILESc1nc[nH]n1
InChIInChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
InChIKeyNSPMIYGKQJPBQR-UHFFFAOYSA-N
XLogP-0.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.07
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Amitrole
CID 1639
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
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
5-fluoro-1H-1,2,4-triazole
CID 45117656
3-iodo-1H-1,2,4-triazole
CID 2772094
4H-1,2,4-triazol-4-aminium
CID 19712407

Frequently Asked Questions

What is the IUPAC name of 1H-1,2,4-triazole?
The IUPAC name of 1H-1,2,4-triazole (CID 9257) is 1H-1,2,4-triazole.
What is the SMILES notation for 1H-1,2,4-triazole?
The canonical SMILES for 1H-1,2,4-triazole is c1nc[nH]n1.
What is the InChIKey of 1H-1,2,4-triazole?
The InChIKey is NSPMIYGKQJPBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5).
What are the key properties of 1H-1,2,4-triazole?
1H-1,2,4-triazole has a molecular weight of 69.07 g/mol, XLogP of -0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,2,4-triazole is sourced from PubChem (CID 9257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).