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

C14H21N5 — CID 114687085

IUPACN-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1cnnn1CCC
InChIInChI=1S/C14H21N5/c1-3-7-16-14(12-5-8-15-9-6-12)13-11-17-18-19(13)10-4-2/h5-6,8-9,11,14,16H,3-4,7,10H2,1-2H3
InChIKeyFMFZDJNEHKDDDA-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.17
Rot. Bonds7

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

N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine (PubChem CID 114687085) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine
PubChem CID114687085
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1cnnn1CCC
InChIInChI=1S/C14H21N5/c1-3-7-16-14(12-5-8-15-9-6-12)13-11-17-18-19(13)10-4-2/h5-6,8-9,11,14,16H,3-4,7,10H2,1-2H3
InChIKeyFMFZDJNEHKDDDA-UHFFFAOYSA-N
XLogP2.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687797
N-[(4-chloro-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 107995221
N-[(3-chloro-4-iodophenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 103216251
N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114686864
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
N-[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114687035
N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687718
N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923832
N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 63976367
N-[(3,4-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038808
N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 105182286
1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114686853

Frequently Asked Questions

What is the IUPAC name of N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine (CID 114687085) is N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine is CCCNC(c1ccncc1)c1cnnn1CCC.
What is the InChIKey of N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine?
The InChIKey is FMFZDJNEHKDDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-7-16-14(12-5-8-15-9-6-12)13-11-17-18-19(13)10-4-2/h5-6,8-9,11,14,16H,3-4,7,10H2,1-2H3.
What are the key properties of N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine?
N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine has a molecular weight of 259.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine is sourced from PubChem (CID 114687085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).