1,4,5,6-tetrahydropyrimidin-3-ium-2-ylhydrazine

C4H11N4+ — CID 7005032

IUPAC1,4,5,6-tetrahydropyrimidin-3-ium-2-ylhydrazine
SMILESNNC1=[NH+]CCCN1
InChIInChI=1S/C4H10N4/c5-8-4-6-2-1-3-7-4/h1-3,5H2,(H2,6,7,8)/p+1
InChIKeyVEBLDPFXTFBZMX-UHFFFAOYSA-O
MW115.16 g/mol
LogP-3.12
Rot. Bonds

About 1,4,5,6-tetrahydropyrimidin-3-ium-2-ylhydrazine

1,4,5,6-tetrahydropyrimidin-3-ium-2-ylhydrazine (PubChem CID 7005032) has the molecular formula C4H11N4+ and a molecular weight of 115.16 g/mol. Its IUPAC name is 1,4,5,6-tetrahydropyrimidin-3-ium-2-ylhydrazine.

Molecular Properties

Compound Name1,4,5,6-tetrahydropyrimidin-3-ium-2-ylhydrazine
PubChem CID7005032
Molecular FormulaC4H11N4+
Molecular Weight115.16 g/mol
Exact Mass115.10
IUPAC Name1,4,5,6-tetrahydropyrimidin-3-ium-2-ylhydrazine
SMILESNNC1=[NH+]CCCN1
InChIInChI=1S/C4H10N4/c5-8-4-6-2-1-3-7-4/h1-3,5H2,(H2,6,7,8)/p+1
InChIKeyVEBLDPFXTFBZMX-UHFFFAOYSA-O
XLogP-3.12
TPSA64.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 5-3.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 1,4,5,6-tetrahydropyrimidin-3-ium-2-ylhydrazine?
The IUPAC name of 1,4,5,6-tetrahydropyrimidin-3-ium-2-ylhydrazine (CID 7005032) is 1,4,5,6-tetrahydropyrimidin-3-ium-2-ylhydrazine.
What is the SMILES notation for 1,4,5,6-tetrahydropyrimidin-3-ium-2-ylhydrazine?
The canonical SMILES for 1,4,5,6-tetrahydropyrimidin-3-ium-2-ylhydrazine is NNC1=[NH+]CCCN1.
What is the InChIKey of 1,4,5,6-tetrahydropyrimidin-3-ium-2-ylhydrazine?
The InChIKey is VEBLDPFXTFBZMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N4/c5-8-4-6-2-1-3-7-4/h1-3,5H2,(H2,6,7,8)/p+1.
What are the key properties of 1,4,5,6-tetrahydropyrimidin-3-ium-2-ylhydrazine?
1,4,5,6-tetrahydropyrimidin-3-ium-2-ylhydrazine has a molecular weight of 115.16 g/mol, XLogP of -3.12, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrahydropyrimidin-3-ium-2-ylhydrazine is sourced from PubChem (CID 7005032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).