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

C3H6N4 — CID 566828

IUPACN-methyl-1H-1,2,4-triazol-5-amine
SMILESCNc1ncn[nH]1
InChIInChI=1S/C3H6N4/c1-4-3-5-2-6-7-3/h2H,1H3,(H2,4,5,6,7)
InChIKeyNOWPYQNOYJQXPV-UHFFFAOYSA-N
MW98.11 g/mol
LogP-0.15
Rot. Bonds1

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

N-methyl-1H-1,2,4-triazol-5-amine (PubChem CID 566828) has the molecular formula C3H6N4 and a molecular weight of 98.11 g/mol. Its IUPAC name is N-methyl-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-methyl-1H-1,2,4-triazol-5-amine
PubChem CID566828
Molecular FormulaC3H6N4
Molecular Weight98.11 g/mol
Exact Mass98.06
IUPAC NameN-methyl-1H-1,2,4-triazol-5-amine
SMILESCNc1ncn[nH]1
InChIInChI=1S/C3H6N4/c1-4-3-5-2-6-7-3/h2H,1H3,(H2,4,5,6,7)
InChIKeyNOWPYQNOYJQXPV-UHFFFAOYSA-N
XLogP-0.15
TPSA53.60 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 ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-methyl-1H-1,2,4-triazol-5-amine (CID 566828) is N-methyl-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-methyl-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-methyl-1H-1,2,4-triazol-5-amine is CNc1ncn[nH]1.
What is the InChIKey of N-methyl-1H-1,2,4-triazol-5-amine?
The InChIKey is NOWPYQNOYJQXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4/c1-4-3-5-2-6-7-3/h2H,1H3,(H2,4,5,6,7).
What are the key properties of N-methyl-1H-1,2,4-triazol-5-amine?
N-methyl-1H-1,2,4-triazol-5-amine has a molecular weight of 98.11 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 566828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).