[5-(4-propan-2-ylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine

C15H22N4 — CID 112593737

IUPAC[5-(4-propan-2-ylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C15H22N4/c1-4-9-19-14(10-16)17-18-15(19)13-7-5-12(6-8-13)11(2)3/h5-8,11H,4,9-10,16H2,1-3H3
InChIKeyNTMKOTFWZYRSGY-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.94
Rot. Bonds5

About [5-(4-propan-2-ylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine

[5-(4-propan-2-ylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 112593737) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is [5-(4-propan-2-ylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-propan-2-ylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
PubChem CID112593737
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name[5-(4-propan-2-ylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C15H22N4/c1-4-9-19-14(10-16)17-18-15(19)13-7-5-12(6-8-13)11(2)3/h5-8,11H,4,9-10,16H2,1-3H3
InChIKeyNTMKOTFWZYRSGY-UHFFFAOYSA-N
XLogP2.94
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396895
[4-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol
CID 115397117
3-[5-(aminomethyl)-4-propyl-1,2,4-triazol-3-yl]benzonitrile
CID 112593670
[5-(3-bromo-5-fluorophenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593704
[5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593728
2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole
CID 82084768
2-(4-propan-2-ylphenyl)-4-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
CID 30760056
[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 112593445
[4-(2-methylpropyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]methanamine
CID 115944255
4-[5-(hydroxymethyl)-4-propyl-1,2,4-triazol-3-yl]benzonitrile
CID 113301742
2-[[5-(aminomethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
CID 63313826
[5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 112593050

Frequently Asked Questions

What is the IUPAC name of [5-(4-propan-2-ylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(4-propan-2-ylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine (CID 112593737) is [5-(4-propan-2-ylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(4-propan-2-ylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(4-propan-2-ylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine is CCCn1c(CN)nnc1-c1ccc(C(C)C)cc1.
What is the InChIKey of [5-(4-propan-2-ylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is NTMKOTFWZYRSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-9-19-14(10-16)17-18-15(19)13-7-5-12(6-8-13)11(2)3/h5-8,11H,4,9-10,16H2,1-3H3.
What are the key properties of [5-(4-propan-2-ylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
[5-(4-propan-2-ylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 258.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-propan-2-ylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112593737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).