(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine

C12H16N4 — CID 61378978

IUPAC(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine
SMILESCCn1c(C)nnc1C(N)c1ccccc1
InChIInChI=1S/C12H16N4/c1-3-16-9(2)14-15-12(16)11(13)10-7-5-4-6-8-10/h4-8,11H,3,13H2,1-2H3
InChIKeyJTFLYMCCJCHJMT-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.65
Rot. Bonds3

About (4-ethyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine

(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine (PubChem CID 61378978) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is (4-ethyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine.

Molecular Properties

Compound Name(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine
PubChem CID61378978
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine
SMILESCCn1c(C)nnc1C(N)c1ccccc1
InChIInChI=1S/C12H16N4/c1-3-16-9(2)14-15-12(16)11(13)10-7-5-4-6-8-10/h4-8,11H,3,13H2,1-2H3
InChIKeyJTFLYMCCJCHJMT-UHFFFAOYSA-N
XLogP1.65
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine?
The IUPAC name of (4-ethyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine (CID 61378978) is (4-ethyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine.
What is the SMILES notation for (4-ethyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine?
The canonical SMILES for (4-ethyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine is CCn1c(C)nnc1C(N)c1ccccc1.
What is the InChIKey of (4-ethyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine?
The InChIKey is JTFLYMCCJCHJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-16-9(2)14-15-12(16)11(13)10-7-5-4-6-8-10/h4-8,11H,3,13H2,1-2H3.
What are the key properties of (4-ethyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine?
(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine is sourced from PubChem (CID 61378978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).