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

C14H20N4 — CID 54896093

IUPAC2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpropan-1-amine
SMILESCC(C)C(NCc1nncn1C)c1ccccc1
InChIInChI=1S/C14H20N4/c1-11(2)14(12-7-5-4-6-8-12)15-9-13-17-16-10-18(13)3/h4-8,10-11,14-15H,9H2,1-3H3
InChIKeyLJKXUPFDNVMDGX-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.30
Rot. Bonds5

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

2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpropan-1-amine (PubChem CID 54896093) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpropan-1-amine
PubChem CID54896093
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpropan-1-amine
SMILESCC(C)C(NCc1nncn1C)c1ccccc1
InChIInChI=1S/C14H20N4/c1-11(2)14(12-7-5-4-6-8-12)15-9-13-17-16-10-18(13)3/h4-8,10-11,14-15H,9H2,1-3H3
InChIKeyLJKXUPFDNVMDGX-UHFFFAOYSA-N
XLogP2.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol
CID 54896086
1-(2-methylpyrazol-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 106757633
N'-hydroxy-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propanimidamide
CID 77028651
N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 86922272
N,N-dimethyl-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]aniline
CID 54895563
1-(1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 54896039
5-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]benzene-1,3-diol
CID 107706212
1-(furan-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 62633450
1-(3-methyl-1-benzothiophen-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 61004429
4,4,4-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 103777371
1-(2,2-diphenylethyl)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 84584139
1-(1-methylpiperidin-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 54895654

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpropan-1-amine (CID 54896093) is 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpropan-1-amine is CC(C)C(NCc1nncn1C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpropan-1-amine?
The InChIKey is LJKXUPFDNVMDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(2)14(12-7-5-4-6-8-12)15-9-13-17-16-10-18(13)3/h4-8,10-11,14-15H,9H2,1-3H3.
What are the key properties of 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpropan-1-amine?
2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpropan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 54896093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).