N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)formamide

C8H9N5O — CID 124896200

IUPACN-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)formamide
SMILESCc1cc(C)n2nc(NC=O)nc2n1
InChIInChI=1S/C8H9N5O/c1-5-3-6(2)13-8(10-5)11-7(12-13)9-4-14/h3-4H,1-2H3,(H,9,12,14)
InChIKeyFPFJIUZTJBUUFR-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.31
Rot. Bonds2

About N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)formamide

N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)formamide (PubChem CID 124896200) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)formamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)formamide
PubChem CID124896200
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC NameN-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)formamide
SMILESCc1cc(C)n2nc(NC=O)nc2n1
InChIInChI=1S/C8H9N5O/c1-5-3-6(2)13-8(10-5)11-7(12-13)9-4-14/h3-4H,1-2H3,(H,9,12,14)
InChIKeyFPFJIUZTJBUUFR-UHFFFAOYSA-N
XLogP0.31
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)formamide?
The IUPAC name of N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)formamide (CID 124896200) is N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)formamide.
What is the SMILES notation for N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)formamide?
The canonical SMILES for N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)formamide is Cc1cc(C)n2nc(NC=O)nc2n1.
What is the InChIKey of N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)formamide?
The InChIKey is FPFJIUZTJBUUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-5-3-6(2)13-8(10-5)11-7(12-13)9-4-14/h3-4H,1-2H3,(H,9,12,14).
What are the key properties of N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)formamide?
N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)formamide has a molecular weight of 191.19 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)formamide is sourced from PubChem (CID 124896200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).