1-(2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea

C14H13N5O — CID 53014295

IUPAC1-(2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc2nncn2c1
InChIInChI=1S/C14H13N5O/c1-10-4-2-3-5-12(10)17-14(20)16-11-6-7-13-18-15-9-19(13)8-11/h2-9H,1H3,(H2,16,17,20)
InChIKeyYCXXGPIAFBMJTL-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.68
Rot. Bonds2

About 1-(2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea

1-(2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea (PubChem CID 53014295) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
PubChem CID53014295
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name1-(2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc2nncn2c1
InChIInChI=1S/C14H13N5O/c1-10-4-2-3-5-12(10)17-14(20)16-11-6-7-13-18-15-9-19(13)8-11/h2-9H,1H3,(H2,16,17,20)
InChIKeyYCXXGPIAFBMJTL-UHFFFAOYSA-N
XLogP2.68
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-3-(4-nitrosophenyl)urea
CID 174923533
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methylphenyl)urea
CID 121089798
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
CID 58646099
2,2-dicyclopropyl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 127758441
1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea
CID 22459222
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-3-(2-methylphenyl)urea
CID 35281169
[1,2,4]triazolo[4,3-a]pyridin-6-yl 2-methylbenzoate
CID 118164103
1-(1,2,3-benzothiadiazol-5-yl)-3-(2-methylphenyl)urea
CID 46261971
1-(2-methylphenyl)-3-pyrimidin-2-ylurea
CID 6477188

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
The IUPAC name of 1-(2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea (CID 53014295) is 1-(2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
The canonical SMILES for 1-(2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea is Cc1ccccc1NC(=O)Nc1ccc2nncn2c1.
What is the InChIKey of 1-(2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
The InChIKey is YCXXGPIAFBMJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-10-4-2-3-5-12(10)17-14(20)16-11-6-7-13-18-15-9-19(13)8-11/h2-9H,1H3,(H2,16,17,20).
What are the key properties of 1-(2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
1-(2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea has a molecular weight of 267.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea is sourced from PubChem (CID 53014295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).