6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide

C11H13N5O — CID 62159894

IUPAC6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide
SMILESN#CCCN(C(=O)c1ccc(N)nn1)C1CC1
InChIInChI=1S/C11H13N5O/c12-6-1-7-16(8-2-3-8)11(17)9-4-5-10(13)15-14-9/h4-5,8H,1-3,7H2,(H2,13,15)
InChIKeyQVRUBMGKQXALGY-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.58
Rot. Bonds4

About 6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide

6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide (PubChem CID 62159894) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide
PubChem CID62159894
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide
SMILESN#CCCN(C(=O)c1ccc(N)nn1)C1CC1
InChIInChI=1S/C11H13N5O/c12-6-1-7-16(8-2-3-8)11(17)9-4-5-10(13)15-14-9/h4-5,8H,1-3,7H2,(H2,13,15)
InChIKeyQVRUBMGKQXALGY-UHFFFAOYSA-N
XLogP0.58
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 55041760
6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid
CID 54997229
6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 62160013
N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
CID 112702167
4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 61053675
2,4-diamino-N-(2-cyanoethyl)-N-cyclopropylbenzamide
CID 61126513
6-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 62186849
N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide
CID 54997505
2-[4-[2-cyanoethyl(cyclopropyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288353
N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998615
2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide
CID 61139154
2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide
CID 114219509

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide (CID 62159894) is 6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide is N#CCCN(C(=O)c1ccc(N)nn1)C1CC1.
What is the InChIKey of 6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide?
The InChIKey is QVRUBMGKQXALGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-6-1-7-16(8-2-3-8)11(17)9-4-5-10(13)15-14-9/h4-5,8H,1-3,7H2,(H2,13,15).
What are the key properties of 6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide?
6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide is sourced from PubChem (CID 62159894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).