1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-1-pyridin-2-ylhydrazine

C16H17N5 — CID 20541224

IUPAC1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-1-pyridin-2-ylhydrazine
SMILESNN(C1=NC2CCCc3cccc(c32)N1)c1ccccn1
InChIInChI=1S/C16H17N5/c17-21(14-9-1-2-10-18-14)16-19-12-7-3-5-11-6-4-8-13(20-16)15(11)12/h1-3,5,7,9-10,13H,4,6,8,17H2,(H,19,20)
InChIKeyUXWANSPTYDFDAM-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.62
Rot. Bonds1

About 1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-1-pyridin-2-ylhydrazine

1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-1-pyridin-2-ylhydrazine (PubChem CID 20541224) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-1-pyridin-2-ylhydrazine.

Molecular Properties

Compound Name1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-1-pyridin-2-ylhydrazine
PubChem CID20541224
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-1-pyridin-2-ylhydrazine
SMILESNN(C1=NC2CCCc3cccc(c32)N1)c1ccccn1
InChIInChI=1S/C16H17N5/c17-21(14-9-1-2-10-18-14)16-19-12-7-3-5-11-6-4-8-13(20-16)15(11)12/h1-3,5,7,9-10,13H,4,6,8,17H2,(H,19,20)
InChIKeyUXWANSPTYDFDAM-UHFFFAOYSA-N
XLogP2.62
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-1-pyridin-2-ylhydrazine?
The IUPAC name of 1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-1-pyridin-2-ylhydrazine (CID 20541224) is 1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-1-pyridin-2-ylhydrazine.
What is the SMILES notation for 1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-1-pyridin-2-ylhydrazine?
The canonical SMILES for 1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-1-pyridin-2-ylhydrazine is NN(C1=NC2CCCc3cccc(c32)N1)c1ccccn1.
What is the InChIKey of 1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-1-pyridin-2-ylhydrazine?
The InChIKey is UXWANSPTYDFDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c17-21(14-9-1-2-10-18-14)16-19-12-7-3-5-11-6-4-8-13(20-16)15(11)12/h1-3,5,7,9-10,13H,4,6,8,17H2,(H,19,20).
What are the key properties of 1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-1-pyridin-2-ylhydrazine?
1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-1-pyridin-2-ylhydrazine has a molecular weight of 279.35 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-1-pyridin-2-ylhydrazine is sourced from PubChem (CID 20541224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).