1-(3a,4,5,6-tetrahydroperimidin-1-yl)-2-pyridin-2-ylhydrazine

C16H17N5 — CID 20541207

IUPAC1-(3a,4,5,6-tetrahydroperimidin-1-yl)-2-pyridin-2-ylhydrazine
SMILESC1=NC2CCCc3cccc(c32)N1NNc1ccccn1
InChIInChI=1S/C16H17N5/c1-2-10-17-15(9-1)19-20-21-11-18-13-7-3-5-12-6-4-8-14(21)16(12)13/h1-2,4,6,8-11,13,20H,3,5,7H2,(H,17,19)
InChIKeyJDQWCOUPWXKLKM-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.84
Rot. Bonds3

About 1-(3a,4,5,6-tetrahydroperimidin-1-yl)-2-pyridin-2-ylhydrazine

1-(3a,4,5,6-tetrahydroperimidin-1-yl)-2-pyridin-2-ylhydrazine (PubChem CID 20541207) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-(3a,4,5,6-tetrahydroperimidin-1-yl)-2-pyridin-2-ylhydrazine.

Molecular Properties

Compound Name1-(3a,4,5,6-tetrahydroperimidin-1-yl)-2-pyridin-2-ylhydrazine
PubChem CID20541207
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name1-(3a,4,5,6-tetrahydroperimidin-1-yl)-2-pyridin-2-ylhydrazine
SMILESC1=NC2CCCc3cccc(c32)N1NNc1ccccn1
InChIInChI=1S/C16H17N5/c1-2-10-17-15(9-1)19-20-21-11-18-13-7-3-5-12-6-4-8-14(21)16(12)13/h1-2,4,6,8-11,13,20H,3,5,7H2,(H,17,19)
InChIKeyJDQWCOUPWXKLKM-UHFFFAOYSA-N
XLogP2.84
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-tetrahydroperimidin-1-yl)-2-pyridin-2-ylhydrazine?
The IUPAC name of 1-(3a,4,5,6-tetrahydroperimidin-1-yl)-2-pyridin-2-ylhydrazine (CID 20541207) is 1-(3a,4,5,6-tetrahydroperimidin-1-yl)-2-pyridin-2-ylhydrazine.
What is the SMILES notation for 1-(3a,4,5,6-tetrahydroperimidin-1-yl)-2-pyridin-2-ylhydrazine?
The canonical SMILES for 1-(3a,4,5,6-tetrahydroperimidin-1-yl)-2-pyridin-2-ylhydrazine is C1=NC2CCCc3cccc(c32)N1NNc1ccccn1.
What is the InChIKey of 1-(3a,4,5,6-tetrahydroperimidin-1-yl)-2-pyridin-2-ylhydrazine?
The InChIKey is JDQWCOUPWXKLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-10-17-15(9-1)19-20-21-11-18-13-7-3-5-12-6-4-8-14(21)16(12)13/h1-2,4,6,8-11,13,20H,3,5,7H2,(H,17,19).
What are the key properties of 1-(3a,4,5,6-tetrahydroperimidin-1-yl)-2-pyridin-2-ylhydrazine?
1-(3a,4,5,6-tetrahydroperimidin-1-yl)-2-pyridin-2-ylhydrazine has a molecular weight of 279.35 g/mol, XLogP of 2.84, 3 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-tetrahydroperimidin-1-yl)-2-pyridin-2-ylhydrazine is sourced from PubChem (CID 20541207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).