N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanamine

C16H19N5 — CID 162630016

IUPACN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanamine
SMILESCc1cc(C)nc(CN(C)Cc2ccn3ncnc3c2)c1
InChIInChI=1S/C16H19N5/c1-12-6-13(2)19-15(7-12)10-20(3)9-14-4-5-21-16(8-14)17-11-18-21/h4-8,11H,9-10H2,1-3H3
InChIKeyORJNJRNTOAYHNI-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.37
Rot. Bonds4

About N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanamine

N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanamine (PubChem CID 162630016) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanamine.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanamine
PubChem CID162630016
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanamine
SMILESCc1cc(C)nc(CN(C)Cc2ccn3ncnc3c2)c1
InChIInChI=1S/C16H19N5/c1-12-6-13(2)19-15(7-12)10-20(3)9-14-4-5-21-16(8-14)17-11-18-21/h4-8,11H,9-10H2,1-3H3
InChIKeyORJNJRNTOAYHNI-UHFFFAOYSA-N
XLogP2.37
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanamine?
The IUPAC name of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanamine (CID 162630016) is N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanamine.
What is the SMILES notation for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanamine?
The canonical SMILES for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanamine is Cc1cc(C)nc(CN(C)Cc2ccn3ncnc3c2)c1.
What is the InChIKey of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanamine?
The InChIKey is ORJNJRNTOAYHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-12-6-13(2)19-15(7-12)10-20(3)9-14-4-5-21-16(8-14)17-11-18-21/h4-8,11H,9-10H2,1-3H3.
What are the key properties of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanamine?
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanamine has a molecular weight of 281.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanamine is sourced from PubChem (CID 162630016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).