1-(1H-indazol-6-yl)-3-pyridin-2-ylurea

C13H11N5O — CID 5330597

IUPAC1-(1H-indazol-6-yl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccc2cn[nH]c2c1)Nc1ccccn1
InChIInChI=1S/C13H11N5O/c19-13(17-12-3-1-2-6-14-12)16-10-5-4-9-8-15-18-11(9)7-10/h1-8H,(H,15,18)(H2,14,16,17,19)
InChIKeyYGKMQQVUBKWTIJ-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.60
Rot. Bonds2

About 1-(1H-indazol-6-yl)-3-pyridin-2-ylurea

1-(1H-indazol-6-yl)-3-pyridin-2-ylurea (PubChem CID 5330597) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-(1H-indazol-6-yl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(1H-indazol-6-yl)-3-pyridin-2-ylurea
PubChem CID5330597
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name1-(1H-indazol-6-yl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccc2cn[nH]c2c1)Nc1ccccn1
InChIInChI=1S/C13H11N5O/c19-13(17-12-3-1-2-6-14-12)16-10-5-4-9-8-15-18-11(9)7-10/h1-8H,(H,15,18)(H2,14,16,17,19)
InChIKeyYGKMQQVUBKWTIJ-UHFFFAOYSA-N
XLogP2.60
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-6-yl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(1H-indazol-6-yl)-3-pyridin-2-ylurea (CID 5330597) is 1-(1H-indazol-6-yl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(1H-indazol-6-yl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(1H-indazol-6-yl)-3-pyridin-2-ylurea is O=C(Nc1ccc2cn[nH]c2c1)Nc1ccccn1.
What is the InChIKey of 1-(1H-indazol-6-yl)-3-pyridin-2-ylurea?
The InChIKey is YGKMQQVUBKWTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c19-13(17-12-3-1-2-6-14-12)16-10-5-4-9-8-15-18-11(9)7-10/h1-8H,(H,15,18)(H2,14,16,17,19).
What are the key properties of 1-(1H-indazol-6-yl)-3-pyridin-2-ylurea?
1-(1H-indazol-6-yl)-3-pyridin-2-ylurea has a molecular weight of 253.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-6-yl)-3-pyridin-2-ylurea is sourced from PubChem (CID 5330597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).