N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C15H17N5O4 — CID 122278053

IUPACN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NCCn2nc(C3CC3)ccc2=O)c1=O
InChIInChI=1S/C15H17N5O4/c1-19-14(23)10(8-17-15(19)24)13(22)16-6-7-20-12(21)5-4-11(18-20)9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,22)(H,17,24)
InChIKeyJAOPQZXOCPGVQS-UHFFFAOYSA-N
MW331.33 g/mol
LogP-1.06
Rot. Bonds5

About N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 122278053) has the molecular formula C15H17N5O4 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID122278053
Molecular FormulaC15H17N5O4
Molecular Weight331.33 g/mol
Exact Mass331.13
IUPAC NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NCCn2nc(C3CC3)ccc2=O)c1=O
InChIInChI=1S/C15H17N5O4/c1-19-14(23)10(8-17-15(19)24)13(22)16-6-7-20-12(21)5-4-11(18-20)9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,22)(H,17,24)
InChIKeyJAOPQZXOCPGVQS-UHFFFAOYSA-N
XLogP-1.06
TPSA118.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 122278053) is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cn1c(=O)[nH]cc(C(=O)NCCn2nc(C3CC3)ccc2=O)c1=O.
What is the InChIKey of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is JAOPQZXOCPGVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4/c1-19-14(23)10(8-17-15(19)24)13(22)16-6-7-20-12(21)5-4-11(18-20)9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,22)(H,17,24).
What are the key properties of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 331.33 g/mol, XLogP of -1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 122278053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).