2-[(4-cyanopyridazin-3-yl)amino]-N-propylacetamide

C10H13N5O — CID 80509456

IUPAC2-[(4-cyanopyridazin-3-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nnccc1C#N
InChIInChI=1S/C10H13N5O/c1-2-4-12-9(16)7-13-10-8(6-11)3-5-14-15-10/h3,5H,2,4,7H2,1H3,(H,12,16)(H,13,15)
InChIKeyKXDWQSKOJJVVNL-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.29
Rot. Bonds5

About 2-[(4-cyanopyridazin-3-yl)amino]-N-propylacetamide

2-[(4-cyanopyridazin-3-yl)amino]-N-propylacetamide (PubChem CID 80509456) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-[(4-cyanopyridazin-3-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-cyanopyridazin-3-yl)amino]-N-propylacetamide
PubChem CID80509456
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-[(4-cyanopyridazin-3-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nnccc1C#N
InChIInChI=1S/C10H13N5O/c1-2-4-12-9(16)7-13-10-8(6-11)3-5-14-15-10/h3,5H,2,4,7H2,1H3,(H,12,16)(H,13,15)
InChIKeyKXDWQSKOJJVVNL-UHFFFAOYSA-N
XLogP0.29
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(4-cyanopyridazin-3-yl)amino]acetyl]amino]acetic acid
CID 80507919
N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide
CID 115356285
methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate
CID 80510253
N-butyl-4-[[(4-cyanopyridazin-3-yl)amino]methyl]benzamide
CID 136574494
3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509420
7-[(4-cyanopyridazin-3-yl)amino]heptanoic acid
CID 80508044
4-[2-[(4-cyanopyridazin-3-yl)amino]ethyl]benzoic acid
CID 80507896
2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 115696998
4-[[(4-cyanopyridazin-3-yl)amino]methyl]benzoic acid
CID 80507966
3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile
CID 80510325
3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile
CID 80509735
2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide
CID 43402545

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanopyridazin-3-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(4-cyanopyridazin-3-yl)amino]-N-propylacetamide (CID 80509456) is 2-[(4-cyanopyridazin-3-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(4-cyanopyridazin-3-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(4-cyanopyridazin-3-yl)amino]-N-propylacetamide is CCCNC(=O)CNc1nnccc1C#N.
What is the InChIKey of 2-[(4-cyanopyridazin-3-yl)amino]-N-propylacetamide?
The InChIKey is KXDWQSKOJJVVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-2-4-12-9(16)7-13-10-8(6-11)3-5-14-15-10/h3,5H,2,4,7H2,1H3,(H,12,16)(H,13,15).
What are the key properties of 2-[(4-cyanopyridazin-3-yl)amino]-N-propylacetamide?
2-[(4-cyanopyridazin-3-yl)amino]-N-propylacetamide has a molecular weight of 219.25 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanopyridazin-3-yl)amino]-N-propylacetamide is sourced from PubChem (CID 80509456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).