N-[1-(3-propyltriazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine

C15H23N5 — CID 114687156

IUPACN-[1-(3-propyltriazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccn1)c1cnnn1CCC
InChIInChI=1S/C15H23N5/c1-3-8-17-14(11-13-7-5-6-9-16-13)15-12-18-19-20(15)10-4-2/h5-7,9,12,14,17H,3-4,8,10-11H2,1-2H3
InChIKeyFADMYXJUTBTCAX-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.37
Rot. Bonds8

About N-[1-(3-propyltriazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine

N-[1-(3-propyltriazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine (PubChem CID 114687156) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-(3-propyltriazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-propyltriazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
PubChem CID114687156
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[1-(3-propyltriazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccn1)c1cnnn1CCC
InChIInChI=1S/C15H23N5/c1-3-8-17-14(11-13-7-5-6-9-16-13)15-12-18-19-20(15)10-4-2/h5-7,9,12,14,17H,3-4,8,10-11H2,1-2H3
InChIKeyFADMYXJUTBTCAX-UHFFFAOYSA-N
XLogP2.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 82903504
N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 114687494
N-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 102803943
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
N-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 102812507
N-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 105038466
N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 105158151
N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 62550641
N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114687085
N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114686864
N-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine
CID 82901884
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687598

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-propyltriazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-propyltriazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine (CID 114687156) is N-[1-(3-propyltriazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-propyltriazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-propyltriazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine is CCCNC(Cc1ccccn1)c1cnnn1CCC.
What is the InChIKey of N-[1-(3-propyltriazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine?
The InChIKey is FADMYXJUTBTCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-3-8-17-14(11-13-7-5-6-9-16-13)15-12-18-19-20(15)10-4-2/h5-7,9,12,14,17H,3-4,8,10-11H2,1-2H3.
What are the key properties of N-[1-(3-propyltriazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine?
N-[1-(3-propyltriazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-propyltriazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine is sourced from PubChem (CID 114687156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).