2-cyclopropyl-5-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

C18H24N6O3 — CID 56872730

IUPAC2-cyclopropyl-5-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCCn1c(CC2CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)CC2)n[nH]c1=O
InChIInChI=1S/C18H24N6O3/c1-2-24-14(21-22-18(24)27)9-11-5-7-23(8-6-11)17(26)13-10-19-15(12-3-4-12)20-16(13)25/h10-12H,2-9H2,1H3,(H,22,27)(H,19,20,25)
InChIKeyLNJFTZFRNSJCJE-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.65
Rot. Bonds5

About 2-cyclopropyl-5-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

2-cyclopropyl-5-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 56872730) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID56872730
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name2-cyclopropyl-5-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCCn1c(CC2CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)CC2)n[nH]c1=O
InChIInChI=1S/C18H24N6O3/c1-2-24-14(21-22-18(24)27)9-11-5-7-23(8-6-11)17(26)13-10-19-15(12-3-4-12)20-16(13)25/h10-12H,2-9H2,1H3,(H,22,27)(H,19,20,25)
InChIKeyLNJFTZFRNSJCJE-UHFFFAOYSA-N
XLogP0.65
TPSA116.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-5-({4-[1-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-4(3H)-pyrimidinone
CID 70777499

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 56872730) is 2-cyclopropyl-5-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is CCn1c(CC2CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)CC2)n[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-5-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is LNJFTZFRNSJCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-2-24-14(21-22-18(24)27)9-11-5-7-23(8-6-11)17(26)13-10-19-15(12-3-4-12)20-16(13)25/h10-12H,2-9H2,1H3,(H,22,27)(H,19,20,25).
What are the key properties of 2-cyclopropyl-5-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-5-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 372.43 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 56872730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).