N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine

C13H19N5 — CID 114687717

IUPACN-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)n1)c1cnnn1C
InChIInChI=1S/C13H19N5/c1-4-8-14-13(12-9-15-17-18(12)3)11-7-5-6-10(2)16-11/h5-7,9,13-14H,4,8H2,1-3H3
InChIKeyDCQWRANIBCVSJA-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.61
Rot. Bonds5

About N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine

N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 114687717) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
PubChem CID114687717
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)n1)c1cnnn1C
InChIInChI=1S/C13H19N5/c1-4-8-14-13(12-9-15-17-18(12)3)11-7-5-6-10(2)16-11/h5-7,9,13-14H,4,8H2,1-3H3
InChIKeyDCQWRANIBCVSJA-UHFFFAOYSA-N
XLogP1.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687718
N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114687716
N-[(4-chloro-1-methylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114651569
N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine
CID 105184613
N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 105043493
N-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 114687092
N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114033825
N-[(2-fluoro-6-methoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114688697
N-[(6-methyl-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63970482
N-[(3,5-dimethyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689034
N-[(2,4-difluorophenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687635
N-[(5-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63555093

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine (CID 114687717) is N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine is CCCNC(c1cccc(C)n1)c1cnnn1C.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is DCQWRANIBCVSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-8-14-13(12-9-15-17-18(12)3)11-7-5-6-10(2)16-11/h5-7,9,13-14H,4,8H2,1-3H3.
What are the key properties of N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114687717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).