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

C16H24N4 — CID 63332236

IUPAC4-(3-methylphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
SMILESCc1cccc(CCC(C)NCCc2nncn2C)c1
InChIInChI=1S/C16H24N4/c1-13-5-4-6-15(11-13)8-7-14(2)17-10-9-16-19-18-12-20(16)3/h4-6,11-12,14,17H,7-10H2,1-3H3
InChIKeyYPGYJYFUBLOQFC-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.28
Rot. Bonds7

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

4-(3-methylphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine (PubChem CID 63332236) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
PubChem CID63332236
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-(3-methylphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
SMILESCc1cccc(CCC(C)NCCc2nncn2C)c1
InChIInChI=1S/C16H24N4/c1-13-5-4-6-15(11-13)8-7-14(2)17-10-9-16-19-18-12-20(16)3/h4-6,11-12,14,17H,7-10H2,1-3H3
InChIKeyYPGYJYFUBLOQFC-UHFFFAOYSA-N
XLogP2.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
CID 63332509
4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine
CID 61459848
4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine
CID 103871923
4-(3-methylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine
CID 79230814
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
2-[4-(3-methylphenyl)butan-2-ylamino]ethanesulfonamide
CID 61169942
4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312823
N-(3-ethylsulfanylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 114247868
4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 63238721
3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine?
The IUPAC name of 4-(3-methylphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine (CID 63332236) is 4-(3-methylphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine is Cc1cccc(CCC(C)NCCc2nncn2C)c1.
What is the InChIKey of 4-(3-methylphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine?
The InChIKey is YPGYJYFUBLOQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-13-5-4-6-15(11-13)8-7-14(2)17-10-9-16-19-18-12-20(16)3/h4-6,11-12,14,17H,7-10H2,1-3H3.
What are the key properties of 4-(3-methylphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine?
4-(3-methylphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine has a molecular weight of 272.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine is sourced from PubChem (CID 63332236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).