2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine

C13H18N4 — CID 62721278

IUPAC2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCC(C)C(N)c1nc(-c2ccccc2)nn1C
InChIInChI=1S/C13H18N4/c1-9(2)11(14)13-15-12(16-17(13)3)10-7-5-4-6-8-10/h4-9,11H,14H2,1-3H3
InChIKeyCUUHASBOGTZPLB-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.14
Rot. Bonds3

About 2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine

2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 62721278) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID62721278
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCC(C)C(N)c1nc(-c2ccccc2)nn1C
InChIInChI=1S/C13H18N4/c1-9(2)11(14)13-15-12(16-17(13)3)10-7-5-4-6-8-10/h4-9,11H,14H2,1-3H3
InChIKeyCUUHASBOGTZPLB-UHFFFAOYSA-N
XLogP2.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62723069
2-amino-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanol
CID 66167131
2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butan-1-amine
CID 65226936
cyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62723083
N-ethyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 55123206
(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62732620
3-(4-bromophenyl)-1-methyl-5-propan-2-yl-1,2,4-triazole
CID 82489304
1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine
CID 166312810
5-chloro-3-phenyl-1-propan-2-yl-1,2,4-triazole
CID 70372932
(1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
CID 99982506
2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62947082
6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 114287525

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine (CID 62721278) is 2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine is CC(C)C(N)c1nc(-c2ccccc2)nn1C.
What is the InChIKey of 2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is CUUHASBOGTZPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(2)11(14)13-15-12(16-17(13)3)10-7-5-4-6-8-10/h4-9,11H,14H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 62721278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).