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

C16H21N7O — CID 129003660

IUPACN-cyclohex-2-en-1-yl-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide
SMILESO=C(NC1C=CCCC1)N1CCN(c2cncc3ncnn23)CC1
InChIInChI=1S/C16H21N7O/c24-16(20-13-4-2-1-3-5-13)22-8-6-21(7-9-22)15-11-17-10-14-18-12-19-23(14)15/h2,4,10-13H,1,3,5-9H2,(H,20,24)
InChIKeyVWAIDJNWZTYVLF-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.06
Rot. Bonds2

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

N-cyclohex-2-en-1-yl-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide (PubChem CID 129003660) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide
PubChem CID129003660
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC NameN-cyclohex-2-en-1-yl-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide
SMILESO=C(NC1C=CCCC1)N1CCN(c2cncc3ncnn23)CC1
InChIInChI=1S/C16H21N7O/c24-16(20-13-4-2-1-3-5-13)22-8-6-21(7-9-22)15-11-17-10-14-18-12-19-23(14)15/h2,4,10-13H,1,3,5-9H2,(H,20,24)
InChIKeyVWAIDJNWZTYVLF-UHFFFAOYSA-N
XLogP1.06
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.06
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-[(1R)-cyclohex-2-en-1-yl]-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide
CID 129342255
N-[(2S)-1-cyclopropylpropan-2-yl]-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide
CID 129340995
2-[(2R)-oxan-2-yl]-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]ethanone
CID 129474593
2-fluoro-2-methyl-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one
CID 128966883
cis-(1R,3S)-2,2-dimethyl-3-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122066912
(3aS,7aS)-2-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylic acid
CID 138051628
5-[1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 166337386
N-cyclohex-2-en-1-yl-7-(5-fluoropyridine-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155914277
4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 128969218
(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide
CID 129340766
(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide
CID 129340767
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohex-2-en-1-yl-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide (CID 129003660) is N-cyclohex-2-en-1-yl-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohex-2-en-1-yl-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide is O=C(NC1C=CCCC1)N1CCN(c2cncc3ncnn23)CC1.
What is the InChIKey of N-cyclohex-2-en-1-yl-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide?
The InChIKey is VWAIDJNWZTYVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c24-16(20-13-4-2-1-3-5-13)22-8-6-21(7-9-22)15-11-17-10-14-18-12-19-23(14)15/h2,4,10-13H,1,3,5-9H2,(H,20,24).
What are the key properties of N-cyclohex-2-en-1-yl-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide?
N-cyclohex-2-en-1-yl-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 129003660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).