2-[(2-chlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H16ClN5O — CID 666913

IUPAC2-[(2-chlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(NCc3ccccc3Cl)nc2n1
InChIInChI=1S/C15H16ClN5O/c1-2-5-11-8-13(22)21-15(18-11)19-14(20-21)17-9-10-6-3-4-7-12(10)16/h3-4,6-8H,2,5,9H2,1H3,(H2,17,18,19,20)
InChIKeyYIJBDXRDLNBKLW-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.64
Rot. Bonds5

About 2-[(2-chlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-[(2-chlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 666913) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID666913
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name2-[(2-chlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(NCc3ccccc3Cl)nc2n1
InChIInChI=1S/C15H16ClN5O/c1-2-5-11-8-13(22)21-15(18-11)19-14(20-21)17-9-10-6-3-4-7-12(10)16/h3-4,6-8H,2,5,9H2,1H3,(H2,17,18,19,20)
InChIKeyYIJBDXRDLNBKLW-UHFFFAOYSA-N
XLogP2.64
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Butyl-2-[(4-Chloro-2-Fluorobenzyl)amino]-7-Oxo-4,7-Dihydropyrazolo[1,5-A]pyrimidine-3-Carbonitrile
CID 122190020
2-[(4-Chlorobenzyl)amino]-7-Oxo-5-Propyl-4,7-Dihydropyrazolo[1,5-A]pyrimidine-3-Carbonitrile
CID 122190028
2-{[(4-Chlorophenyl)methyl]amino}-6-methyl-3,4-dihydropyrimidin-4-one
CID 135459601
2-[(2-chloro-6-fluorobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1265655
Methyl {2-[(4-chlorobenzyl)amino]-5-methyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate
CID 665869
2-[(2,6-Dichlorobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 667280
2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1264254
2-[(2-Fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1943193
2-[(4-chloro-3-methylphenyl)methylamino]-7-oxo-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 122190010
2-[(4-chloro-3-fluorophenyl)methylamino]-7-oxo-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 122190015
2-[(4-chloro-2-fluorophenyl)methylamino]-7-oxo-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 122190016
5-butyl-2-[(4-chlorophenyl)methylamino]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 122190032

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 666913) is 2-[(2-chlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(NCc3ccccc3Cl)nc2n1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YIJBDXRDLNBKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-2-5-11-8-13(22)21-15(18-11)19-14(20-21)17-9-10-6-3-4-7-12(10)16/h3-4,6-8H,2,5,9H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-[(2-chlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 317.78 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 666913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).