N-[(1R)-cyclohex-2-en-1-yl]-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide

C17H23N7O — CID 129342255

IUPACN-[(1R)-cyclohex-2-en-1-yl]-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide
SMILESCc1nc2cncc(N3CCN(C(=O)N[C@H]4C=CCCC4)CC3)n2n1
InChIInChI=1S/C17H23N7O/c1-13-19-15-11-18-12-16(24(15)21-13)22-7-9-23(10-8-22)17(25)20-14-5-3-2-4-6-14/h3,5,11-12,14H,2,4,6-10H2,1H3,(H,20,25)/t14-/m0/s1
InChIKeySPMCHENCIQSQJV-AWEZNQCLSA-N
MW341.42 g/mol
LogP1.37
Rot. Bonds2

About N-[(1R)-cyclohex-2-en-1-yl]-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide

N-[(1R)-cyclohex-2-en-1-yl]-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide (PubChem CID 129342255) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[(1R)-cyclohex-2-en-1-yl]-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-cyclohex-2-en-1-yl]-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide
PubChem CID129342255
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-[(1R)-cyclohex-2-en-1-yl]-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide
SMILESCc1nc2cncc(N3CCN(C(=O)N[C@H]4C=CCCC4)CC3)n2n1
InChIInChI=1S/C17H23N7O/c1-13-19-15-11-18-12-16(24(15)21-13)22-7-9-23(10-8-22)17(25)20-14-5-3-2-4-6-14/h3,5,11-12,14H,2,4,6-10H2,1H3,(H,20,25)/t14-/m0/s1
InChIKeySPMCHENCIQSQJV-AWEZNQCLSA-N
XLogP1.37
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohex-2-en-1-yl-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide
CID 129003660
4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 128969218
1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]-2-[(2S)-oxan-2-yl]ethanone
CID 129342151
4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 129002357
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone
CID 129007915
(3-methyl-2-pyridinyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone
CID 129007924
3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one
CID 129002349
5-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 129007502
5-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 129003796
N-[(2S)-1-cyclopropylpropan-2-yl]-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide
CID 129340995
5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 129002804
2-[(2R)-oxan-2-yl]-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]ethanone
CID 129474593

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-cyclohex-2-en-1-yl]-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(1R)-cyclohex-2-en-1-yl]-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide (CID 129342255) is N-[(1R)-cyclohex-2-en-1-yl]-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1R)-cyclohex-2-en-1-yl]-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1R)-cyclohex-2-en-1-yl]-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide is Cc1nc2cncc(N3CCN(C(=O)N[C@H]4C=CCCC4)CC3)n2n1.
What is the InChIKey of N-[(1R)-cyclohex-2-en-1-yl]-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide?
The InChIKey is SPMCHENCIQSQJV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N7O/c1-13-19-15-11-18-12-16(24(15)21-13)22-7-9-23(10-8-22)17(25)20-14-5-3-2-4-6-14/h3,5,11-12,14H,2,4,6-10H2,1H3,(H,20,25)/t14-/m0/s1.
What are the key properties of N-[(1R)-cyclohex-2-en-1-yl]-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide?
N-[(1R)-cyclohex-2-en-1-yl]-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-cyclohex-2-en-1-yl]-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 129342255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).