4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine

C16H24N4 — CID 105162668

IUPAC4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCCn1ncnc1CC(N)CCc1ccc(C)cc1
InChIInChI=1S/C16H24N4/c1-3-10-20-16(18-12-19-20)11-15(17)9-8-14-6-4-13(2)5-7-14/h4-7,12,15H,3,8-11,17H2,1-2H3
InChIKeySHLKDCYNAJKXBP-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.50
Rot. Bonds7

About 4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine

4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine (PubChem CID 105162668) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
PubChem CID105162668
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCCn1ncnc1CC(N)CCc1ccc(C)cc1
InChIInChI=1S/C16H24N4/c1-3-10-20-16(18-12-19-20)11-15(17)9-8-14-6-4-13(2)5-7-14/h4-7,12,15H,3,8-11,17H2,1-2H3
InChIKeySHLKDCYNAJKXBP-UHFFFAOYSA-N
XLogP2.50
TPSA56.73 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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003135
4-(3-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162672
1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105162643
4-(3-methylphenoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162519
4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003205
1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105162518
1-(2-methoxy-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002995
4,4,4-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312099
1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine
CID 105002075
1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105002958
1-(5-methyl-3-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105162641
3-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)propan-1-one
CID 112744711

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The IUPAC name of 4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine (CID 105162668) is 4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The canonical SMILES for 4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine is CCCn1ncnc1CC(N)CCc1ccc(C)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The InChIKey is SHLKDCYNAJKXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-10-20-16(18-12-19-20)11-15(17)9-8-14-6-4-13(2)5-7-14/h4-7,12,15H,3,8-11,17H2,1-2H3.
What are the key properties of 4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine has a molecular weight of 272.40 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine is sourced from PubChem (CID 105162668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).