2-[4-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine

C14H20N6O — CID 174007773

IUPAC2-[4-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=CN)c1cn2nccc2c(OCCN(C)C)n1
InChIInChI=1S/C14H20N6O/c1-16-9-11(8-15)12-10-20-13(4-5-17-20)14(18-12)21-7-6-19(2)3/h4-5,8-10H,6-7,15H2,1-3H3/b11-8?,16-9+
InChIKeyCDJXFDYYJZYPRP-WEHMZTKHSA-N
MW288.36 g/mol
LogP0.67
Rot. Bonds6

About 2-[4-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine

2-[4-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine (PubChem CID 174007773) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine
PubChem CID174007773
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name2-[4-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=CN)c1cn2nccc2c(OCCN(C)C)n1
InChIInChI=1S/C14H20N6O/c1-16-9-11(8-15)12-10-20-13(4-5-17-20)14(18-12)21-7-6-19(2)3/h4-5,8-10H,6-7,15H2,1-3H3/b11-8?,16-9+
InChIKeyCDJXFDYYJZYPRP-WEHMZTKHSA-N
XLogP0.67
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[4-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

CID 163301374
CID 163301374
CID 163301662
CID 163301662
CID 163301673
CID 163301673
CID 163302021
CID 163302021
CID 126954464
CID 126954464
CID 163301334
CID 163301334
CID 163301336
CID 163301336
CID 163301351
CID 163301351
CID 163301449
CID 163301449
CID 163301599
CID 163301599
CID 163301609
CID 163301609
CID 163301653
CID 163301653

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine?
The IUPAC name of 2-[4-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine (CID 174007773) is 2-[4-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine is C/N=C/C(=CN)c1cn2nccc2c(OCCN(C)C)n1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine?
The InChIKey is CDJXFDYYJZYPRP-WEHMZTKHSA-N. The full InChI is InChI=1S/C14H20N6O/c1-16-9-11(8-15)12-10-20-13(4-5-17-20)14(18-12)21-7-6-19(2)3/h4-5,8-10H,6-7,15H2,1-3H3/b11-8?,16-9+.
What are the key properties of 2-[4-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine?
2-[4-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine has a molecular weight of 288.36 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 174007773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).