N-(4-methylcyclohexyl)-2-[4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]acetamide

C18H28N8O — CID 136552953

IUPACN-(4-methylcyclohexyl)-2-[4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]acetamide
SMILESCC1CCC(NC(=O)CN2CCN(c3ncnc4c3nnn4C)CC2)CC1
InChIInChI=1S/C18H28N8O/c1-13-3-5-14(6-4-13)21-15(27)11-25-7-9-26(10-8-25)18-16-17(19-12-20-18)24(2)23-22-16/h12-14H,3-11H2,1-2H3,(H,21,27)
InChIKeyNQPFUQRKLHAQDE-UHFFFAOYSA-N
MW372.48 g/mol
LogP0.58
Rot. Bonds4

About N-(4-methylcyclohexyl)-2-[4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]acetamide

N-(4-methylcyclohexyl)-2-[4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]acetamide (PubChem CID 136552953) has the molecular formula C18H28N8O and a molecular weight of 372.48 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-[4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-[4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]acetamide
PubChem CID136552953
Molecular FormulaC18H28N8O
Molecular Weight372.48 g/mol
Exact Mass372.24
IUPAC NameN-(4-methylcyclohexyl)-2-[4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]acetamide
SMILESCC1CCC(NC(=O)CN2CCN(c3ncnc4c3nnn4C)CC2)CC1
InChIInChI=1S/C18H28N8O/c1-13-3-5-14(6-4-13)21-15(27)11-25-7-9-26(10-8-25)18-16-17(19-12-20-18)24(2)23-22-16/h12-14H,3-11H2,1-2H3,(H,21,27)
InChIKeyNQPFUQRKLHAQDE-UHFFFAOYSA-N
XLogP0.58
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133407949
N-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 31539436
3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
CID 7424099
2-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 133378895
2,2-difluoro-N-[2-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]propanamide
CID 126838726
2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 34042276
N-(cyclohexylmethyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557585
N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 39746892
N-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide
CID 133293462
N-(4-methylcyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
CID 168993833
2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 140936797
N-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196550

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-[4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-[4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]acetamide (CID 136552953) is N-(4-methylcyclohexyl)-2-[4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-[4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-[4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]acetamide is CC1CCC(NC(=O)CN2CCN(c3ncnc4c3nnn4C)CC2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-[4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]acetamide?
The InChIKey is NQPFUQRKLHAQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N8O/c1-13-3-5-14(6-4-13)21-15(27)11-25-7-9-26(10-8-25)18-16-17(19-12-20-18)24(2)23-22-16/h12-14H,3-11H2,1-2H3,(H,21,27).
What are the key properties of N-(4-methylcyclohexyl)-2-[4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]acetamide?
N-(4-methylcyclohexyl)-2-[4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]acetamide has a molecular weight of 372.48 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-[4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 136552953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).