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

C17H18ClN5O — CID 50846563

IUPAC1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3nnc(C(C)C)n3c2)cc1Cl
InChIInChI=1S/C17H18ClN5O/c1-10(2)16-22-21-15-7-6-13(9-23(15)16)20-17(24)19-12-5-4-11(3)14(18)8-12/h4-10H,1-3H3,(H2,19,20,24)
InChIKeyUUIDZEDGTAVYNQ-UHFFFAOYSA-N
MW343.82 g/mol
LogP4.46
Rot. Bonds3

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

1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea (PubChem CID 50846563) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
PubChem CID50846563
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3nnc(C(C)C)n3c2)cc1Cl
InChIInChI=1S/C17H18ClN5O/c1-10(2)16-22-21-15-7-6-13(9-23(15)16)20-17(24)19-12-5-4-11(3)14(18)8-12/h4-10H,1-3H3,(H2,19,20,24)
InChIKeyUUIDZEDGTAVYNQ-UHFFFAOYSA-N
XLogP4.46
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea with MolForge

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Related Compounds

2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
CID 126792529
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
methyl 2-[(3-chloro-4-methylphenyl)carbamoylamino]propanoate
CID 3416421
(3S)-4-(2,2-difluoroethyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)morpholine-3-carboxamide
CID 99827106
1-(3-chloro-4-methylphenyl)-3-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)urea
CID 22509953
1-(4-tert-butylphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 108884728
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-(3-chloro-4-methylphenyl)-3-(1,2,4-triazol-4-yl)urea
CID 17278361
1-(3-chloro-4-methylphenyl)-3-(methylamino)urea
CID 126971586
N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxane-3-carboxamide
CID 154741097
1-(3-chloro-4-methylphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea
CID 22509982
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea (CID 50846563) is 1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea is Cc1ccc(NC(=O)Nc2ccc3nnc(C(C)C)n3c2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
The InChIKey is UUIDZEDGTAVYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-10(2)16-22-21-15-7-6-13(9-23(15)16)20-17(24)19-12-5-4-11(3)14(18)8-12/h4-10H,1-3H3,(H2,19,20,24).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea has a molecular weight of 343.82 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea is sourced from PubChem (CID 50846563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).