1-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea

C15H19N7O — CID 118762797

IUPAC1-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea
SMILESCc1cc(C)n(C(C)CNC(=O)Nc2cccn3cnnc23)n1
InChIInChI=1S/C15H19N7O/c1-10-7-11(2)22(20-10)12(3)8-16-15(23)18-13-5-4-6-21-9-17-19-14(13)21/h4-7,9,12H,8H2,1-3H3,(H2,16,18,23)
InChIKeyRNIZCDHULQHVET-UHFFFAOYSA-N
MW313.37 g/mol
LogP1.93
Rot. Bonds4

About 1-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea

1-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea (PubChem CID 118762797) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea
PubChem CID118762797
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name1-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea
SMILESCc1cc(C)n(C(C)CNC(=O)Nc2cccn3cnnc23)n1
InChIInChI=1S/C15H19N7O/c1-10-7-11(2)22(20-10)12(3)8-16-15(23)18-13-5-4-6-21-9-17-19-14(13)21/h4-7,9,12H,8H2,1-3H3,(H2,16,18,23)
InChIKeyRNIZCDHULQHVET-UHFFFAOYSA-N
XLogP1.93
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea?
The IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea (CID 118762797) is 1-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea.
What is the SMILES notation for 1-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea?
The canonical SMILES for 1-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea is Cc1cc(C)n(C(C)CNC(=O)Nc2cccn3cnnc23)n1.
What is the InChIKey of 1-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea?
The InChIKey is RNIZCDHULQHVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-10-7-11(2)22(20-10)12(3)8-16-15(23)18-13-5-4-6-21-9-17-19-14(13)21/h4-7,9,12H,8H2,1-3H3,(H2,16,18,23).
What are the key properties of 1-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea?
1-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea has a molecular weight of 313.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea is sourced from PubChem (CID 118762797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).