1-(2,2-dimethylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea

C13H22N6O — CID 128761693

IUPAC1-(2,2-dimethylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
SMILESCC1(C)NCCC1NC(=O)Nc1nc2n(n1)CCCC2
InChIInChI=1S/C13H22N6O/c1-13(2)9(6-7-14-13)15-12(20)17-11-16-10-5-3-4-8-19(10)18-11/h9,14H,3-8H2,1-2H3,(H2,15,17,18,20)
InChIKeySECLYJBCANLUAZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.88
Rot. Bonds2

About 1-(2,2-dimethylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea

1-(2,2-dimethylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea (PubChem CID 128761693) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(2,2-dimethylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-(2,2-dimethylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
PubChem CID128761693
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name1-(2,2-dimethylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
SMILESCC1(C)NCCC1NC(=O)Nc1nc2n(n1)CCCC2
InChIInChI=1S/C13H22N6O/c1-13(2)9(6-7-14-13)15-12(20)17-11-16-10-5-3-4-8-19(10)18-11/h9,14H,3-8H2,1-2H3,(H2,15,17,18,20)
InChIKeySECLYJBCANLUAZ-UHFFFAOYSA-N
XLogP0.88
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The IUPAC name of 1-(2,2-dimethylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea (CID 128761693) is 1-(2,2-dimethylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea.
What is the SMILES notation for 1-(2,2-dimethylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The canonical SMILES for 1-(2,2-dimethylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea is CC1(C)NCCC1NC(=O)Nc1nc2n(n1)CCCC2.
What is the InChIKey of 1-(2,2-dimethylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The InChIKey is SECLYJBCANLUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-13(2)9(6-7-14-13)15-12(20)17-11-16-10-5-3-4-8-19(10)18-11/h9,14H,3-8H2,1-2H3,(H2,15,17,18,20).
What are the key properties of 1-(2,2-dimethylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
1-(2,2-dimethylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea has a molecular weight of 278.36 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea is sourced from PubChem (CID 128761693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).