[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

C14H20N6S — CID 79932781

IUPAC[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(CN2CCN3CCCC3C2)nc2sccc12
InChIInChI=1S/C14H20N6S/c15-18-13-11-3-7-21-14(11)17-12(16-13)9-19-5-6-20-4-1-2-10(20)8-19/h3,7,10H,1-2,4-6,8-9,15H2,(H,16,17,18)
InChIKeyPOVORTVKRMOMRY-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.26
Rot. Bonds3

About [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 79932781) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID79932781
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(CN2CCN3CCCC3C2)nc2sccc12
InChIInChI=1S/C14H20N6S/c15-18-13-11-3-7-21-14(11)17-12(16-13)9-19-5-6-20-4-1-2-10(20)8-19/h3,7,10H,1-2,4-6,8-9,15H2,(H,16,17,18)
InChIKeyPOVORTVKRMOMRY-UHFFFAOYSA-N
XLogP1.26
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 79932781) is [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is NNc1nc(CN2CCN3CCCC3C2)nc2sccc12.
What is the InChIKey of [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is POVORTVKRMOMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c15-18-13-11-3-7-21-14(11)17-12(16-13)9-19-5-6-20-4-1-2-10(20)8-19/h3,7,10H,1-2,4-6,8-9,15H2,(H,16,17,18).
What are the key properties of [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 304.42 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 79932781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).