N,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide

C15H23N5O — CID 86795418

IUPACN,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
SMILESCCC(C)N(C(=O)c1cnc2c(c1)nnn2C)C(C)CC
InChIInChI=1S/C15H23N5O/c1-6-10(3)20(11(4)7-2)15(21)12-8-13-14(16-9-12)19(5)18-17-13/h8-11H,6-7H2,1-5H3
InChIKeyCHLXRKWVTHUBAN-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.40
Rot. Bonds5

About N,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide

N,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 86795418) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
PubChem CID86795418
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
SMILESCCC(C)N(C(=O)c1cnc2c(c1)nnn2C)C(C)CC
InChIInChI=1S/C15H23N5O/c1-6-10(3)20(11(4)7-2)15(21)12-8-13-14(16-9-12)19(5)18-17-13/h8-11H,6-7H2,1-5H3
InChIKeyCHLXRKWVTHUBAN-UHFFFAOYSA-N
XLogP2.40
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide (CID 86795418) is N,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide is CCC(C)N(C(=O)c1cnc2c(c1)nnn2C)C(C)CC.
What is the InChIKey of N,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is CHLXRKWVTHUBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-6-10(3)20(11(4)7-2)15(21)12-8-13-14(16-9-12)19(5)18-17-13/h8-11H,6-7H2,1-5H3.
What are the key properties of N,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide?
N,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 86795418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).