1-(2-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea

C15H15ClN6O2 — CID 50794914

IUPAC1-(2-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea
SMILESCCCc1nc2nc[nH]n2c(=O)c1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H15ClN6O2/c1-2-5-11-12(13(23)22-14(19-11)17-8-18-22)21-15(24)20-10-7-4-3-6-9(10)16/h3-4,6-8H,2,5H2,1H3,(H,17,18,19)(H2,20,21,24)
InChIKeyIOSDACXNHXFXAK-UHFFFAOYSA-N
MW346.78 g/mol
LogP2.67
Rot. Bonds4

About 1-(2-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea

1-(2-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea (PubChem CID 50794914) has the molecular formula C15H15ClN6O2 and a molecular weight of 346.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea
PubChem CID50794914
Molecular FormulaC15H15ClN6O2
Molecular Weight346.78 g/mol
Exact Mass346.09
IUPAC Name1-(2-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea
SMILESCCCc1nc2nc[nH]n2c(=O)c1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H15ClN6O2/c1-2-5-11-12(13(23)22-14(19-11)17-8-18-22)21-15(24)20-10-7-4-3-6-9(10)16/h3-4,6-8H,2,5H2,1H3,(H,17,18,19)(H2,20,21,24)
InChIKeyIOSDACXNHXFXAK-UHFFFAOYSA-N
XLogP2.67
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea
CID 46345299
1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea
CID 4994979
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
1-(2-chlorophenyl)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17374979
N-(2-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
CID 20913823
1-(2-chlorophenyl)-3-(ethylcarbamoyl)urea
CID 12876419
1-(2-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea
CID 3188341
1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 113436699
2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide
CID 53031397
1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea
CID 46193181
1-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea (CID 50794914) is 1-(2-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea is CCCc1nc2nc[nH]n2c(=O)c1NC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea?
The InChIKey is IOSDACXNHXFXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O2/c1-2-5-11-12(13(23)22-14(19-11)17-8-18-22)21-15(24)20-10-7-4-3-6-9(10)16/h3-4,6-8H,2,5H2,1H3,(H,17,18,19)(H2,20,21,24).
What are the key properties of 1-(2-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea?
1-(2-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea has a molecular weight of 346.78 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea is sourced from PubChem (CID 50794914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).