N-[cyclobutyl-(2-phenyltriazol-4-yl)methyl]propan-1-amine

C16H22N4 — CID 105187480

IUPACN-[cyclobutyl-(2-phenyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(-c2ccccc2)n1)C1CCC1
InChIInChI=1S/C16H22N4/c1-2-11-17-16(13-7-6-8-13)15-12-18-20(19-15)14-9-4-3-5-10-14/h3-5,9-10,12-13,16-17H,2,6-8,11H2,1H3
InChIKeyHPYZVFLGDAQHJJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.11
Rot. Bonds6

About N-[cyclobutyl-(2-phenyltriazol-4-yl)methyl]propan-1-amine

N-[cyclobutyl-(2-phenyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 105187480) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[cyclobutyl-(2-phenyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclobutyl-(2-phenyltriazol-4-yl)methyl]propan-1-amine
PubChem CID105187480
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[cyclobutyl-(2-phenyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(-c2ccccc2)n1)C1CCC1
InChIInChI=1S/C16H22N4/c1-2-11-17-16(13-7-6-8-13)15-12-18-20(19-15)14-9-4-3-5-10-14/h3-5,9-10,12-13,16-17H,2,6-8,11H2,1H3
InChIKeyHPYZVFLGDAQHJJ-UHFFFAOYSA-N
XLogP3.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[cyclopentyl-(2-phenyltriazol-4-yl)methyl]hydrazine
CID 105282381
N-[(3-methylcyclohexyl)-(2-methyltriazol-4-yl)methyl]propan-1-amine
CID 112735849
(3-ethylcyclohexyl)-(2-phenyltriazol-4-yl)methanol
CID 105104541
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111
N-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine
CID 105146680
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
N-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine
CID 80611076
N-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine
CID 63990209
2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
CID 114013665
N-[(3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 63963526
N-[(4-chloro-1-ethylpyrazol-5-yl)-cyclobutylmethyl]propan-1-amine
CID 114653224

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(2-phenyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclobutyl-(2-phenyltriazol-4-yl)methyl]propan-1-amine (CID 105187480) is N-[cyclobutyl-(2-phenyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclobutyl-(2-phenyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclobutyl-(2-phenyltriazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnn(-c2ccccc2)n1)C1CCC1.
What is the InChIKey of N-[cyclobutyl-(2-phenyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is HPYZVFLGDAQHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-11-17-16(13-7-6-8-13)15-12-18-20(19-15)14-9-4-3-5-10-14/h3-5,9-10,12-13,16-17H,2,6-8,11H2,1H3.
What are the key properties of N-[cyclobutyl-(2-phenyltriazol-4-yl)methyl]propan-1-amine?
N-[cyclobutyl-(2-phenyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(2-phenyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105187480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).