N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine

C13H19N5 — CID 114687409

IUPACN-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)c1ncccc1C
InChIInChI=1S/C13H19N5/c1-4-8-18-11(9-16-17-18)13(14-3)12-10(2)6-5-7-15-12/h5-7,9,13-14H,4,8H2,1-3H3
InChIKeyODHFQOQZCPEYGD-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.70
Rot. Bonds5

About N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine

N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine (PubChem CID 114687409) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine
PubChem CID114687409
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)c1ncccc1C
InChIInChI=1S/C13H19N5/c1-4-8-18-11(9-16-17-18)13(14-3)12-10(2)6-5-7-15-12/h5-7,9,13-14H,4,8H2,1-3H3
InChIKeyODHFQOQZCPEYGD-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114687408
N-[(3-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 103444424
N-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine
CID 103128167
N-methyl-1-(4-methylthiophen-3-yl)-1-(3-propyltriazol-4-yl)methanamine
CID 114688675
1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688524
[(3-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105209169
1-(3-bromo-4-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038815
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687190
N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687384
[(3-methyl-2-pyridinyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105209144
1-[2-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038764
N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine
CID 114687541

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine (CID 114687409) is N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(NC)c1ncccc1C.
What is the InChIKey of N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine?
The InChIKey is ODHFQOQZCPEYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-8-18-11(9-16-17-18)13(14-3)12-10(2)6-5-7-15-12/h5-7,9,13-14H,4,8H2,1-3H3.
What are the key properties of N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine?
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine has a molecular weight of 245.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 114687409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).