N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carboxamide

C18H27N5O2 — CID 136585079

IUPACN-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C(=O)N(C)Cc2nnc3c(=O)n(C)ccn23)CC1
InChIInChI=1S/C18H27N5O2/c1-12(2)13-5-7-14(8-6-13)17(24)22(4)11-15-19-20-16-18(25)21(3)9-10-23(15)16/h9-10,12-14H,5-8,11H2,1-4H3
InChIKeyLCUAARVZDVVRQI-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.85
Rot. Bonds4

About N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carboxamide

N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 136585079) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carboxamide
PubChem CID136585079
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C(=O)N(C)Cc2nnc3c(=O)n(C)ccn23)CC1
InChIInChI=1S/C18H27N5O2/c1-12(2)13-5-7-14(8-6-13)17(24)22(4)11-15-19-20-16-18(25)21(3)9-10-23(15)16/h9-10,12-14H,5-8,11H2,1-4H3
InChIKeyLCUAARVZDVVRQI-UHFFFAOYSA-N
XLogP1.85
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carboxamide (CID 136585079) is N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carboxamide is CC(C)C1CCC(C(=O)N(C)Cc2nnc3c(=O)n(C)ccn23)CC1.
What is the InChIKey of N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is LCUAARVZDVVRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12(2)13-5-7-14(8-6-13)17(24)22(4)11-15-19-20-16-18(25)21(3)9-10-23(15)16/h9-10,12-14H,5-8,11H2,1-4H3.
What are the key properties of N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carboxamide?
N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 136585079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).