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

C5H10N4 — CID 43524624

IUPAC(4,5-dimethyl-1,2,4-triazol-3-yl)methanamine
SMILESCc1nnc(CN)n1C
InChIInChI=1S/C5H10N4/c1-4-7-8-5(3-6)9(4)2/h3,6H2,1-2H3
InChIKeyCEHWOQJCKWKFJD-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.42
Rot. Bonds1

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

(4,5-dimethyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 43524624) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is (4,5-dimethyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(4,5-dimethyl-1,2,4-triazol-3-yl)methanamine
PubChem CID43524624
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name(4,5-dimethyl-1,2,4-triazol-3-yl)methanamine
SMILESCc1nnc(CN)n1C
InChIInChI=1S/C5H10N4/c1-4-7-8-5(3-6)9(4)2/h3,6H2,1-2H3
InChIKeyCEHWOQJCKWKFJD-UHFFFAOYSA-N
XLogP-0.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (4,5-dimethyl-1,2,4-triazol-3-yl)methanamine (CID 43524624) is (4,5-dimethyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (4,5-dimethyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (4,5-dimethyl-1,2,4-triazol-3-yl)methanamine is Cc1nnc(CN)n1C.
What is the InChIKey of (4,5-dimethyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is CEHWOQJCKWKFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-4-7-8-5(3-6)9(4)2/h3,6H2,1-2H3.
What are the key properties of (4,5-dimethyl-1,2,4-triazol-3-yl)methanamine?
(4,5-dimethyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 126.16 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 43524624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).