N,2-dimethyl-8-prop-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C10H11N5 — CID 24874300

IUPACN,2-dimethyl-8-prop-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC#Cc1cnn2c(NC)nc(C)nc12
InChIInChI=1S/C10H11N5/c1-4-5-8-6-12-15-9(8)13-7(2)14-10(15)11-3/h6H,1-3H3,(H,11,13,14)
InChIKeyDUKJKZOGLGVSGG-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.85
Rot. Bonds1

About N,2-dimethyl-8-prop-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N,2-dimethyl-8-prop-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 24874300) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is N,2-dimethyl-8-prop-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-8-prop-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID24874300
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC NameN,2-dimethyl-8-prop-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC#Cc1cnn2c(NC)nc(C)nc12
InChIInChI=1S/C10H11N5/c1-4-5-8-6-12-15-9(8)13-7(2)14-10(15)11-3/h6H,1-3H3,(H,11,13,14)
InChIKeyDUKJKZOGLGVSGG-UHFFFAOYSA-N
XLogP0.85
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-8-prop-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N,2-dimethyl-8-prop-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 24874300) is N,2-dimethyl-8-prop-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N,2-dimethyl-8-prop-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N,2-dimethyl-8-prop-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CC#Cc1cnn2c(NC)nc(C)nc12.
What is the InChIKey of N,2-dimethyl-8-prop-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is DUKJKZOGLGVSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-4-5-8-6-12-15-9(8)13-7(2)14-10(15)11-3/h6H,1-3H3,(H,11,13,14).
What are the key properties of N,2-dimethyl-8-prop-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N,2-dimethyl-8-prop-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 201.23 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-8-prop-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 24874300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).