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

C13H18N4 — CID 61378390

IUPAC1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine
SMILESCCn1c(C)nnc1C(N)Cc1ccccc1
InChIInChI=1S/C13H18N4/c1-3-17-10(2)15-16-13(17)12(14)9-11-7-5-4-6-8-11/h4-8,12H,3,9,14H2,1-2H3
InChIKeyUHGDOBOBGBWYED-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.85
Rot. Bonds4

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

1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine (PubChem CID 61378390) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine
PubChem CID61378390
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine
SMILESCCn1c(C)nnc1C(N)Cc1ccccc1
InChIInChI=1S/C13H18N4/c1-3-17-10(2)15-16-13(17)12(14)9-11-7-5-4-6-8-11/h4-8,12H,3,9,14H2,1-2H3
InChIKeyUHGDOBOBGBWYED-UHFFFAOYSA-N
XLogP1.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine
CID 61378978
ethyl 2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-3-phenylpropanoate
CID 79482471
1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 61377430
2-[[5-[(1S)-1-amino-2-phenylethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 23823415
4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol
CID 104905977
(1S)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine
CID 104983677
1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethanamine
CID 61376647
(1S)-1-(4-benzyl-5-benzylsulfonyl-1,2,4-triazol-3-yl)-2-phenylethanamine
CID 23932460
5-[(1S)-1-amino-2-phenylethyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 104902560
(S)-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-phenylmethanamine
CID 104899172
(1S)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine
CID 104983678
1-(1-methylimidazo[1,5-a]pyridin-3-yl)-2-phenylethanamine
CID 82481285

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine?
The IUPAC name of 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine (CID 61378390) is 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine is CCn1c(C)nnc1C(N)Cc1ccccc1.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine?
The InChIKey is UHGDOBOBGBWYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-17-10(2)15-16-13(17)12(14)9-11-7-5-4-6-8-11/h4-8,12H,3,9,14H2,1-2H3.
What are the key properties of 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine?
1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine has a molecular weight of 230.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine is sourced from PubChem (CID 61378390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).