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

C15H22N4 — CID 114920922

IUPAC1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine
SMILESCC(C)Cn1cnnc1C(N)CCc1ccccc1
InChIInChI=1S/C15H22N4/c1-12(2)10-19-11-17-18-15(19)14(16)9-8-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,16H2,1-2H3
InChIKeyRCLVLAGFUTUBHK-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.57
Rot. Bonds6

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

1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine (PubChem CID 114920922) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine
PubChem CID114920922
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine
SMILESCC(C)Cn1cnnc1C(N)CCc1ccccc1
InChIInChI=1S/C15H22N4/c1-12(2)10-19-11-17-18-15(19)14(16)9-8-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,16H2,1-2H3
InChIKeyRCLVLAGFUTUBHK-UHFFFAOYSA-N
XLogP2.57
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
CID 62709894
(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine
CID 104983689
(1S)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine
CID 104983678
(1S)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine
CID 104983677
1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-phenylpropan-1-amine
CID 130374225
(2S)-4-phenylbutan-2-amine
CID 6994564
(1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104895424
1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine
CID 114929701
1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine
CID 114687299
(2S)-2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylbutanamide
CID 106302587
(1R)-1-(4-phenyl-1,2,4-triazol-3-yl)butan-1-amine
CID 94554781
1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-phenylpropan-1-amine
CID 114917863

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine?
The IUPAC name of 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine (CID 114920922) is 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine.
What is the SMILES notation for 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine?
The canonical SMILES for 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine is CC(C)Cn1cnnc1C(N)CCc1ccccc1.
What is the InChIKey of 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine?
The InChIKey is RCLVLAGFUTUBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12(2)10-19-11-17-18-15(19)14(16)9-8-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,16H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine?
1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine is sourced from PubChem (CID 114920922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).