N-[(1,4-dimethylpiperidin-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C15H23N5 — CID 107164463

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NCC2(C)CCN(C)CC2)n2ncnc2c1
InChIInChI=1S/C15H23N5/c1-12-8-13(20-14(9-12)17-11-18-20)16-10-15(2)4-6-19(3)7-5-15/h8-9,11,16H,4-7,10H2,1-3H3
InChIKeyRSWOFADQXSMFLI-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.18
Rot. Bonds3

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 107164463) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID107164463
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NCC2(C)CCN(C)CC2)n2ncnc2c1
InChIInChI=1S/C15H23N5/c1-12-8-13(20-14(9-12)17-11-18-20)16-10-15(2)4-6-19(3)7-5-15/h8-9,11,16H,4-7,10H2,1-3H3
InChIKeyRSWOFADQXSMFLI-UHFFFAOYSA-N
XLogP2.18
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 107164463) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Cc1cc(NCC2(C)CCN(C)CC2)n2ncnc2c1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is RSWOFADQXSMFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-12-8-13(20-14(9-12)17-11-18-20)16-10-15(2)4-6-19(3)7-5-15/h8-9,11,16H,4-7,10H2,1-3H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 273.38 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 107164463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).