N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide

C16H17N5O2 — CID 7693042

IUPACN-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide
SMILESCCCc1cc(=O)n2[nH]c(NC(=O)Cc3ccccc3)nc2n1
InChIInChI=1S/C16H17N5O2/c1-2-6-12-10-14(23)21-16(17-12)19-15(20-21)18-13(22)9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H2,17,18,19,20,22)
InChIKeyBWQRXIFBCPFVCM-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.55
Rot. Bonds5

About N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide

N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide (PubChem CID 7693042) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide
PubChem CID7693042
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC NameN-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide
SMILESCCCc1cc(=O)n2[nH]c(NC(=O)Cc3ccccc3)nc2n1
InChIInChI=1S/C16H17N5O2/c1-2-6-12-10-14(23)21-16(17-12)19-15(20-21)18-13(22)9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H2,17,18,19,20,22)
InChIKeyBWQRXIFBCPFVCM-UHFFFAOYSA-N
XLogP1.55
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide?
The IUPAC name of N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide (CID 7693042) is N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide is CCCc1cc(=O)n2[nH]c(NC(=O)Cc3ccccc3)nc2n1.
What is the InChIKey of N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide?
The InChIKey is BWQRXIFBCPFVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-2-6-12-10-14(23)21-16(17-12)19-15(20-21)18-13(22)9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H2,17,18,19,20,22).
What are the key properties of N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide?
N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide has a molecular weight of 311.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide is sourced from PubChem (CID 7693042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).