(5-methyl-1H-1,2,4-triazol-3-yl)methanamine

C4H8N4 — CID 1382012

IUPAC(5-methyl-1H-1,2,4-triazol-3-yl)methanamine
SMILESCc1nc(CN)n[nH]1
InChIInChI=1S/C4H8N4/c1-3-6-4(2-5)8-7-3/h2,5H2,1H3,(H,6,7,8)
InChIKeyYADGRHBCQYSHSZ-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.43
Rot. Bonds1

About (5-methyl-1H-1,2,4-triazol-3-yl)methanamine

(5-methyl-1H-1,2,4-triazol-3-yl)methanamine (PubChem CID 1382012) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is (5-methyl-1H-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-1H-1,2,4-triazol-3-yl)methanamine
PubChem CID1382012
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name(5-methyl-1H-1,2,4-triazol-3-yl)methanamine
SMILESCc1nc(CN)n[nH]1
InChIInChI=1S/C4H8N4/c1-3-6-4(2-5)8-7-3/h2,5H2,1H3,(H,6,7,8)
InChIKeyYADGRHBCQYSHSZ-UHFFFAOYSA-N
XLogP-0.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (5-methyl-1H-1,2,4-triazol-3-yl)methanamine (CID 1382012) is (5-methyl-1H-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (5-methyl-1H-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (5-methyl-1H-1,2,4-triazol-3-yl)methanamine is Cc1nc(CN)n[nH]1.
What is the InChIKey of (5-methyl-1H-1,2,4-triazol-3-yl)methanamine?
The InChIKey is YADGRHBCQYSHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-3-6-4(2-5)8-7-3/h2,5H2,1H3,(H,6,7,8).
What are the key properties of (5-methyl-1H-1,2,4-triazol-3-yl)methanamine?
(5-methyl-1H-1,2,4-triazol-3-yl)methanamine has a molecular weight of 112.14 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 1382012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).