2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine

C15H24N6 — CID 64779259

IUPAC2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(Cc2ccn(C3CCCCC3)n2)nn1
InChIInChI=1S/C15H24N6/c1-15(2,16)14-11-20(19-17-14)10-12-8-9-21(18-12)13-6-4-3-5-7-13/h8-9,11,13H,3-7,10,16H2,1-2H3
InChIKeyZQZLFHSURUWZOU-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.22
Rot. Bonds4

About 2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine

2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine (PubChem CID 64779259) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine
PubChem CID64779259
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(Cc2ccn(C3CCCCC3)n2)nn1
InChIInChI=1S/C15H24N6/c1-15(2,16)14-11-20(19-17-14)10-12-8-9-21(18-12)13-6-4-3-5-7-13/h8-9,11,13H,3-7,10,16H2,1-2H3
InChIKeyZQZLFHSURUWZOU-UHFFFAOYSA-N
XLogP2.22
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(chloromethyl)-1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole
CID 64778866
4-(1-bromoethyl)-1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole
CID 81448654
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol
CID 64778669
methyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate
CID 103107476
[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]-phenylmethanol
CID 146121632
1-[(1-cyclohexylpyrazol-3-yl)methoxy]-2-methylpropan-2-amine
CID 64784196
3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole
CID 64777851
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride
CID 64778434
2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile
CID 65377026
1-[(1-cyclopentylpyrazol-3-yl)methoxy]-2-methylpropan-2-amine
CID 64784388
3-[[4-(chloromethyl)pyrazol-1-yl]methyl]-1-cyclohexylpyrazole
CID 64779298

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine (CID 64779259) is 2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine is CC(C)(N)c1cn(Cc2ccn(C3CCCCC3)n2)nn1.
What is the InChIKey of 2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine?
The InChIKey is ZQZLFHSURUWZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-15(2,16)14-11-20(19-17-14)10-12-8-9-21(18-12)13-6-4-3-5-7-13/h8-9,11,13H,3-7,10,16H2,1-2H3.
What are the key properties of 2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine?
2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine has a molecular weight of 288.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine is sourced from PubChem (CID 64779259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).