N-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine

C12H16N4 — CID 62734128

IUPACN-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine
SMILESCNCCc1nc(-c2ccccc2)nn1C
InChIInChI=1S/C12H16N4/c1-13-9-8-11-14-12(15-16(11)2)10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3
InChIKeyPNJYXHGPGYPUKT-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.24
Rot. Bonds4

About N-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine

N-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 62734128) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID62734128
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine
SMILESCNCCc1nc(-c2ccccc2)nn1C
InChIInChI=1S/C12H16N4/c1-13-9-8-11-14-12(15-16(11)2)10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3
InChIKeyPNJYXHGPGYPUKT-UHFFFAOYSA-N
XLogP1.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62732620
4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butanoic acid
CID 62734691
N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 75396439
N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-2-(2-phenylethoxy)acetamide
CID 71905466
2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64672697
N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine
CID 115277894
1-[5-(3-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine
CID 83897435
1,3-dimethyl-N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 71487282
1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine
CID 166312810
3-[4-(4-tert-butylphenyl)phenyl]-1-methyl-5-propyl-1,2,4-triazole
CID 140771991
[5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82487224
N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine
CID 62447153

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine (CID 62734128) is N-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine is CNCCc1nc(-c2ccccc2)nn1C.
What is the InChIKey of N-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is PNJYXHGPGYPUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-13-9-8-11-14-12(15-16(11)2)10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3.
What are the key properties of N-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine?
N-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 62734128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).