N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide

C14H17N5O2 — CID 91628942

IUPACN-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCn2ccnc2C2CC2)ccc1=O
InChIInChI=1S/C14H17N5O2/c1-18-12(20)5-4-11(17-18)14(21)16-7-9-19-8-6-15-13(19)10-2-3-10/h4-6,8,10H,2-3,7,9H2,1H3,(H,16,21)
InChIKeyULDCCGWUONCAIN-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.28
Rot. Bonds5

About N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 91628942) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID91628942
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCn2ccnc2C2CC2)ccc1=O
InChIInChI=1S/C14H17N5O2/c1-18-12(20)5-4-11(17-18)14(21)16-7-9-19-8-6-15-13(19)10-2-3-10/h4-6,8,10H,2-3,7,9H2,1H3,(H,16,21)
InChIKeyULDCCGWUONCAIN-UHFFFAOYSA-N
XLogP0.28
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 91628942) is N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NCCn2ccnc2C2CC2)ccc1=O.
What is the InChIKey of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is ULDCCGWUONCAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-18-12(20)5-4-11(17-18)14(21)16-7-9-19-8-6-15-13(19)10-2-3-10/h4-6,8,10H,2-3,7,9H2,1H3,(H,16,21).
What are the key properties of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 91628942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).