5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophene-2-carbonitrile

C15H20N4S — CID 103505429

IUPAC5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophene-2-carbonitrile
SMILESN#Cc1sc(N2CCN3CCCC3C2)c(C2CC2)c1N
InChIInChI=1S/C15H20N4S/c16-8-12-14(17)13(10-3-4-10)15(20-12)19-7-6-18-5-1-2-11(18)9-19/h10-11H,1-7,9,17H2
InChIKeyDTESAURZZZYYLS-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.36
Rot. Bonds2

About 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophene-2-carbonitrile

5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophene-2-carbonitrile (PubChem CID 103505429) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophene-2-carbonitrile
PubChem CID103505429
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophene-2-carbonitrile
SMILESN#Cc1sc(N2CCN3CCCC3C2)c(C2CC2)c1N
InChIInChI=1S/C15H20N4S/c16-8-12-14(17)13(10-3-4-10)15(20-12)19-7-6-18-5-1-2-11(18)9-19/h10-11H,1-7,9,17H2
InChIKeyDTESAURZZZYYLS-UHFFFAOYSA-N
XLogP2.36
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophene-2-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

3-amino-4-cyclopropyl-5-(4-propylpiperazin-1-yl)thiophene-2-carbonitrile
CID 103418683
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide
CID 103505458
5-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-3-chloro-1,2-thiazole-4-carbonitrile
CID 95622923
2-amino-3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)benzonitrile
CID 104716921
3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carbonitrile
CID 103507576
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methylsulfanylthiophene-2-carboxamide
CID 103505433
methyl 4-amino-5-cyano-2-(3-ethylpiperidin-1-yl)thiophene-3-carboxylate
CID 103509083
3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103509706
3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile
CID 103526708
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383282
3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103421966
3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile
CID 103381604

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophene-2-carbonitrile?
The IUPAC name of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophene-2-carbonitrile (CID 103505429) is 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophene-2-carbonitrile.
What is the SMILES notation for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophene-2-carbonitrile?
The canonical SMILES for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophene-2-carbonitrile is N#Cc1sc(N2CCN3CCCC3C2)c(C2CC2)c1N.
What is the InChIKey of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophene-2-carbonitrile?
The InChIKey is DTESAURZZZYYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c16-8-12-14(17)13(10-3-4-10)15(20-12)19-7-6-18-5-1-2-11(18)9-19/h10-11H,1-7,9,17H2.
What are the key properties of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophene-2-carbonitrile?
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophene-2-carbonitrile has a molecular weight of 288.42 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophene-2-carbonitrile is sourced from PubChem (CID 103505429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).