(Z)-1-[(2-ethylcyclopentyl)methyl]-N-(methylideneamino)-5H-pyrrolo[2,3-b]pyrazin-2-imine

C15H21N5 — CID 166967965

IUPAC(Z)-1-[(2-ethylcyclopentyl)methyl]-N-(methylideneamino)-5H-pyrrolo[2,3-b]pyrazin-2-imine
SMILESC=N/N=c1/cnc2[nH]ccc2n1CC1CCCC1CC
InChIInChI=1S/C15H21N5/c1-3-11-5-4-6-12(11)10-20-13-7-8-17-15(13)18-9-14(20)19-16-2/h7-9,11-12,17H,2-6,10H2,1H3/b19-14-
InChIKeyOLKNUTIZOGVECK-RGEXLXHISA-N
MW271.37 g/mol
LogP2.71
Rot. Bonds4

About (Z)-1-[(2-ethylcyclopentyl)methyl]-N-(methylideneamino)-5H-pyrrolo[2,3-b]pyrazin-2-imine

(Z)-1-[(2-ethylcyclopentyl)methyl]-N-(methylideneamino)-5H-pyrrolo[2,3-b]pyrazin-2-imine (PubChem CID 166967965) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is (Z)-1-[(2-ethylcyclopentyl)methyl]-N-(methylideneamino)-5H-pyrrolo[2,3-b]pyrazin-2-imine.

Molecular Properties

Compound Name(Z)-1-[(2-ethylcyclopentyl)methyl]-N-(methylideneamino)-5H-pyrrolo[2,3-b]pyrazin-2-imine
PubChem CID166967965
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name(Z)-1-[(2-ethylcyclopentyl)methyl]-N-(methylideneamino)-5H-pyrrolo[2,3-b]pyrazin-2-imine
SMILESC=N/N=c1/cnc2[nH]ccc2n1CC1CCCC1CC
InChIInChI=1S/C15H21N5/c1-3-11-5-4-6-12(11)10-20-13-7-8-17-15(13)18-9-14(20)19-16-2/h7-9,11-12,17H,2-6,10H2,1H3/b19-14-
InChIKeyOLKNUTIZOGVECK-RGEXLXHISA-N
XLogP2.71
TPSA58.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-1-[(2-ethylcyclopentyl)methyl]-N-(methylideneamino)-5H-pyrrolo[2,3-b]pyrazin-2-imine with MolForge

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Related Compounds

N-[(1S,3R)-3-ethyl-4-[(2Z)-2-(methylidenehydrazinylidene)-5H-pyrrolo[2,3-b]pyrazin-1-yl]cyclopentyl]propane-1-sulfonamide
CID 136643674
12-[(3S,4R)-4-ethylpyrrolidin-3-yl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 137213417
12-[(3R)-4-ethylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 129054119
12-[(2R)-2-ethylpyrrolidin-1-yl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 129131353
12-(4-ethyl-1-methylpyrrolidin-3-yl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 129131151
12-[(1S,2R)-2-methylcyclopentyl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 129131266
12-[(1S,2R)-2-methylcyclohexyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 58557279
12-[(3R,4S)-4-ethenylpiperidin-3-yl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 163995023
12-[(1S,2R,4S)-2-ethyl-4-[[(2R)-2-methylpyrrolidin-1-yl]sulfonylmethyl]cyclopentyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 158984960
4-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]oxythiane 1,1-dioxide
CID 137131608
12-[(3S)-piperidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 67216754
(3S,5R)-5-ethyl-1-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidin-3-amine
CID 58557188

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(2-ethylcyclopentyl)methyl]-N-(methylideneamino)-5H-pyrrolo[2,3-b]pyrazin-2-imine?
The IUPAC name of (Z)-1-[(2-ethylcyclopentyl)methyl]-N-(methylideneamino)-5H-pyrrolo[2,3-b]pyrazin-2-imine (CID 166967965) is (Z)-1-[(2-ethylcyclopentyl)methyl]-N-(methylideneamino)-5H-pyrrolo[2,3-b]pyrazin-2-imine.
What is the SMILES notation for (Z)-1-[(2-ethylcyclopentyl)methyl]-N-(methylideneamino)-5H-pyrrolo[2,3-b]pyrazin-2-imine?
The canonical SMILES for (Z)-1-[(2-ethylcyclopentyl)methyl]-N-(methylideneamino)-5H-pyrrolo[2,3-b]pyrazin-2-imine is C=N/N=c1/cnc2[nH]ccc2n1CC1CCCC1CC.
What is the InChIKey of (Z)-1-[(2-ethylcyclopentyl)methyl]-N-(methylideneamino)-5H-pyrrolo[2,3-b]pyrazin-2-imine?
The InChIKey is OLKNUTIZOGVECK-RGEXLXHISA-N. The full InChI is InChI=1S/C15H21N5/c1-3-11-5-4-6-12(11)10-20-13-7-8-17-15(13)18-9-14(20)19-16-2/h7-9,11-12,17H,2-6,10H2,1H3/b19-14-.
What are the key properties of (Z)-1-[(2-ethylcyclopentyl)methyl]-N-(methylideneamino)-5H-pyrrolo[2,3-b]pyrazin-2-imine?
(Z)-1-[(2-ethylcyclopentyl)methyl]-N-(methylideneamino)-5H-pyrrolo[2,3-b]pyrazin-2-imine has a molecular weight of 271.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(2-ethylcyclopentyl)methyl]-N-(methylideneamino)-5H-pyrrolo[2,3-b]pyrazin-2-imine is sourced from PubChem (CID 166967965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).