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

C12H15N5 — CID 24874175

IUPACN,2-dimethyl-8-pent-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCC#Cc1cnn2c(NC)nc(C)nc12
InChIInChI=1S/C12H15N5/c1-4-5-6-7-10-8-14-17-11(10)15-9(2)16-12(17)13-3/h8H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyIVVXTTHGOJADBJ-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.63
Rot. Bonds2

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

N,2-dimethyl-8-pent-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 24874175) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N,2-dimethyl-8-pent-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-8-pent-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID24874175
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN,2-dimethyl-8-pent-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCC#Cc1cnn2c(NC)nc(C)nc12
InChIInChI=1S/C12H15N5/c1-4-5-6-7-10-8-14-17-11(10)15-9(2)16-12(17)13-3/h8H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyIVVXTTHGOJADBJ-UHFFFAOYSA-N
XLogP1.63
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,2-dimethyl-8-pent-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-8-pent-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N,2-dimethyl-8-pent-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 24874175) is N,2-dimethyl-8-pent-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N,2-dimethyl-8-pent-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N,2-dimethyl-8-pent-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCCC#Cc1cnn2c(NC)nc(C)nc12.
What is the InChIKey of N,2-dimethyl-8-pent-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is IVVXTTHGOJADBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-4-5-6-7-10-8-14-17-11(10)15-9(2)16-12(17)13-3/h8H,4-5H2,1-3H3,(H,13,15,16).
What are the key properties of N,2-dimethyl-8-pent-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N,2-dimethyl-8-pent-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 229.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-8-pent-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 24874175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).