1-(2-methylphenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine

C16H24N4 — CID 75441441

IUPAC1-(2-methylphenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
SMILESCc1ccccc1CC(C)NCc1nncn1C(C)C
InChIInChI=1S/C16H24N4/c1-12(2)20-11-18-19-16(20)10-17-14(4)9-15-8-6-5-7-13(15)3/h5-8,11-12,14,17H,9-10H2,1-4H3
InChIKeyNCUKFNWJHSBBHK-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.89
Rot. Bonds6

About 1-(2-methylphenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine

1-(2-methylphenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine (PubChem CID 75441441) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
PubChem CID75441441
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-(2-methylphenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
SMILESCc1ccccc1CC(C)NCc1nncn1C(C)C
InChIInChI=1S/C16H24N4/c1-12(2)20-11-18-19-16(20)10-17-14(4)9-15-8-6-5-7-13(15)3/h5-8,11-12,14,17H,9-10H2,1-4H3
InChIKeyNCUKFNWJHSBBHK-UHFFFAOYSA-N
XLogP2.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylphenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine with MolForge

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Related Compounds

3-[2-(2-methylphenyl)ethyl]-4-propan-2-yl-1,2,4-triazole
CID 115393901
1-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 115891137
1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine
CID 80707990
1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
CID 54864805
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62741442
1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 62696425
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62136472
N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 113242970
2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
CID 119878813
2,2-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]propan-1-amine
CID 61325570
1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 60943980

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-(2-methylphenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine (CID 75441441) is 1-(2-methylphenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(2-methylphenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine is Cc1ccccc1CC(C)NCc1nncn1C(C)C.
What is the InChIKey of 1-(2-methylphenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The InChIKey is NCUKFNWJHSBBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-12(2)20-11-18-19-16(20)10-17-14(4)9-15-8-6-5-7-13(15)3/h5-8,11-12,14,17H,9-10H2,1-4H3.
What are the key properties of 1-(2-methylphenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
1-(2-methylphenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine has a molecular weight of 272.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 75441441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).