3-amino-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1-carboxamide

C14H20N6O — CID 128757010

IUPAC3-amino-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1-carboxamide
SMILESCC(C)c1nnc2ccc(NC(=O)N3CCC(N)C3)cn12
InChIInChI=1S/C14H20N6O/c1-9(2)13-18-17-12-4-3-11(8-20(12)13)16-14(21)19-6-5-10(15)7-19/h3-4,8-10H,5-7,15H2,1-2H3,(H,16,21)
InChIKeyIOFIBYMHFFWFKC-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.42
Rot. Bonds2

About 3-amino-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1-carboxamide

3-amino-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1-carboxamide (PubChem CID 128757010) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 3-amino-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1-carboxamide
PubChem CID128757010
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name3-amino-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1-carboxamide
SMILESCC(C)c1nnc2ccc(NC(=O)N3CCC(N)C3)cn12
InChIInChI=1S/C14H20N6O/c1-9(2)13-18-17-12-4-3-11(8-20(12)13)16-14(21)19-6-5-10(15)7-19/h3-4,8-10H,5-7,15H2,1-2H3,(H,16,21)
InChIKeyIOFIBYMHFFWFKC-UHFFFAOYSA-N
XLogP1.42
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-difluoro-3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carboxamide
CID 154737713
(3S,4S)-1-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122090971
5-oxo-1-propan-2-yl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-3-carboxamide
CID 126786172
N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxane-3-carboxamide
CID 154741097
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 62068743
1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
CID 50846563
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
(3R)-3-amino-N-(4-chlorophenyl)pyrrolidine-1-carboxamide;hydrochloride
CID 165430484
(3S)-4-(2,2-difluoroethyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)morpholine-3-carboxamide
CID 99827106
1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide
CID 126785198
(3S)-3-amino-N-(4-cyanophenyl)pyrrolidine-1-carboxamide
CID 113282408
N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide
CID 126779440

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-amino-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1-carboxamide (CID 128757010) is 3-amino-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1-carboxamide is CC(C)c1nnc2ccc(NC(=O)N3CCC(N)C3)cn12.
What is the InChIKey of 3-amino-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1-carboxamide?
The InChIKey is IOFIBYMHFFWFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-9(2)13-18-17-12-4-3-11(8-20(12)13)16-14(21)19-6-5-10(15)7-19/h3-4,8-10H,5-7,15H2,1-2H3,(H,16,21).
What are the key properties of 3-amino-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1-carboxamide?
3-amino-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1-carboxamide has a molecular weight of 288.36 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 128757010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).