1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylurea

C16H17N7O — CID 151737186

IUPAC1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylurea
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccccn2)n1
InChIInChI=1S/C16H17N7O/c1-11(2)23-10-18-22-15(23)12-6-5-8-14(19-12)21-16(24)20-13-7-3-4-9-17-13/h3-11H,1-2H3,(H2,17,19,20,21,24)
InChIKeyRLTVBHOYTGZPMF-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.96
Rot. Bonds4

About 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylurea

1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylurea (PubChem CID 151737186) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylurea
PubChem CID151737186
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylurea
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccccn2)n1
InChIInChI=1S/C16H17N7O/c1-11(2)23-10-18-22-15(23)12-6-5-8-14(19-12)21-16(24)20-13-7-3-4-9-17-13/h3-11H,1-2H3,(H2,17,19,20,21,24)
InChIKeyRLTVBHOYTGZPMF-UHFFFAOYSA-N
XLogP2.96
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylurea (CID 151737186) is 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylurea is CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccccn2)n1.
What is the InChIKey of 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylurea?
The InChIKey is RLTVBHOYTGZPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c1-11(2)23-10-18-22-15(23)12-6-5-8-14(19-12)21-16(24)20-13-7-3-4-9-17-13/h3-11H,1-2H3,(H2,17,19,20,21,24).
What are the key properties of 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylurea?
1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylurea has a molecular weight of 323.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 151737186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).