N-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

C10H16N4O — CID 136580102

IUPACN-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1nnc2n1CCCC2
InChIInChI=1S/C10H16N4O/c1-7(2)11-10(15)9-13-12-8-5-3-4-6-14(8)9/h7H,3-6H2,1-2H3,(H,11,15)
InChIKeyILORFFDJOLKFSM-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.75
Rot. Bonds2

About N-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

N-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (PubChem CID 136580102) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
PubChem CID136580102
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1nnc2n1CCCC2
InChIInChI=1S/C10H16N4O/c1-7(2)11-10(15)9-13-12-8-5-3-4-6-14(8)9/h7H,3-6H2,1-2H3,(H,11,15)
InChIKeyILORFFDJOLKFSM-UHFFFAOYSA-N
XLogP0.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The IUPAC name of N-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (CID 136580102) is N-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is CC(C)NC(=O)c1nnc2n1CCCC2.
What is the InChIKey of N-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The InChIKey is ILORFFDJOLKFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(2)11-10(15)9-13-12-8-5-3-4-6-14(8)9/h7H,3-6H2,1-2H3,(H,11,15).
What are the key properties of N-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
N-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is sourced from PubChem (CID 136580102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).