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

C17H26N4 — CID 105000015

IUPAC1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpentan-2-amine
SMILESCCC(c1ccccc1)C(N)Cc1ncnn1CC(C)C
InChIInChI=1S/C17H26N4/c1-4-15(14-8-6-5-7-9-14)16(18)10-17-19-12-20-21(17)11-13(2)3/h5-9,12-13,15-16H,4,10-11,18H2,1-3H3
InChIKeyGNLZRNSENPZCBC-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.00
Rot. Bonds7

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

1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpentan-2-amine (PubChem CID 105000015) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpentan-2-amine.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpentan-2-amine
PubChem CID105000015
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpentan-2-amine
SMILESCCC(c1ccccc1)C(N)Cc1ncnn1CC(C)C
InChIInChI=1S/C17H26N4/c1-4-15(14-8-6-5-7-9-14)16(18)10-17-19-12-20-21(17)11-13(2)3/h5-9,12-13,15-16H,4,10-11,18H2,1-3H3
InChIKeyGNLZRNSENPZCBC-UHFFFAOYSA-N
XLogP3.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-2-methyl-3-phenylpropyl)-1-(2-methylpropyl)-1,2,4-triazole
CID 104846419
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-methylsulfonylbutan-2-amine
CID 105000061
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
CID 105201026
1-(3-aminophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 106695869
[3-ethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-yl]hydrazine
CID 105317619
2-benzyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 79013748
3-phenyl-1-pyridin-2-ylpentan-2-amine
CID 104995303
2-(4-chlorophenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine
CID 79441588
[4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]hexan-2-yl]hydrazine
CID 105317693
2-(4-bromophenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine
CID 79437922
2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 66059154
3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 104990126

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpentan-2-amine?
The IUPAC name of 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpentan-2-amine (CID 105000015) is 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpentan-2-amine.
What is the SMILES notation for 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpentan-2-amine?
The canonical SMILES for 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpentan-2-amine is CCC(c1ccccc1)C(N)Cc1ncnn1CC(C)C.
What is the InChIKey of 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpentan-2-amine?
The InChIKey is GNLZRNSENPZCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-15(14-8-6-5-7-9-14)16(18)10-17-19-12-20-21(17)11-13(2)3/h5-9,12-13,15-16H,4,10-11,18H2,1-3H3.
What are the key properties of 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpentan-2-amine?
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpentan-2-amine has a molecular weight of 286.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpentan-2-amine is sourced from PubChem (CID 105000015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).