2H-triazol-4-ylmethanamine

C3H6N4 — CID 14359226

IUPAC2H-triazol-4-ylmethanamine
SMILESNCc1cn[nH]n1
InChIInChI=1S/C3H6N4/c4-1-3-2-5-7-6-3/h2H,1,4H2,(H,5,6,7)
InChIKeyHKFJQCFGHPMXLQ-UHFFFAOYSA-N
MW98.11 g/mol
LogP-0.74
Rot. Bonds1

About 2H-triazol-4-ylmethanamine

2H-triazol-4-ylmethanamine (PubChem CID 14359226) has the molecular formula C3H6N4 and a molecular weight of 98.11 g/mol. Its IUPAC name is 2H-triazol-4-ylmethanamine.

Molecular Properties

Compound Name2H-triazol-4-ylmethanamine
PubChem CID14359226
Molecular FormulaC3H6N4
Molecular Weight98.11 g/mol
Exact Mass98.06
IUPAC Name2H-triazol-4-ylmethanamine
SMILESNCc1cn[nH]n1
InChIInChI=1S/C3H6N4/c4-1-3-2-5-7-6-3/h2H,1,4H2,(H,5,6,7)
InChIKeyHKFJQCFGHPMXLQ-UHFFFAOYSA-N
XLogP-0.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.11
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1H-1,2,3-triazole
CID 12933420
1-(1H-1,2,3-Triazol-5-yl)methanamine--hydrogen chloride (1/1)
CID 25241963
(2-methyl-2H-1,2,3-triazol-4-yl)methanamine hydrochloride
CID 55284238
(2-methyl-2H-1,2,3-triazol-4-yl)methanamine
CID 55284239
(2-ethyl-2H-1,2,3-triazol-4-yl)methanamine
CID 68179807
1H-1,2,3-triazole-4-carboximidamide hydrochloride
CID 136981736
methyl[(1H-1,2,3-triazol-5-yl)methyl]amine
CID 53800752
5-(azidomethyl)-1H-1,2,3-triazole
CID 356106
1-Amino-1h-[1,2,3]triazole-4-carbothioic acid hydrazide
CID 55279151
(1H-1,2,3-triazol-4-yl)methanamine dihydrochloride
CID 118703176
methyl((1H-1,2,3-triazol-4-yl)methyl)amine hydrochloride
CID 119106308
3-Amino-5-methyltriazole
CID 18688999

Frequently Asked Questions

What is the IUPAC name of 2H-triazol-4-ylmethanamine?
The IUPAC name of 2H-triazol-4-ylmethanamine (CID 14359226) is 2H-triazol-4-ylmethanamine.
What is the SMILES notation for 2H-triazol-4-ylmethanamine?
The canonical SMILES for 2H-triazol-4-ylmethanamine is NCc1cn[nH]n1.
What is the InChIKey of 2H-triazol-4-ylmethanamine?
The InChIKey is HKFJQCFGHPMXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4/c4-1-3-2-5-7-6-3/h2H,1,4H2,(H,5,6,7).
What are the key properties of 2H-triazol-4-ylmethanamine?
2H-triazol-4-ylmethanamine has a molecular weight of 98.11 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazol-4-ylmethanamine is sourced from PubChem (CID 14359226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).