1-(4-methanimidoyl-2-pyridinyl)azetidin-3-amine

C9H12N4 — CID 164877992

IUPAC1-(4-methanimidoyl-2-pyridinyl)azetidin-3-amine
SMILES[H]/N=C/c1ccnc(N2CC(N)C2)c1
InChIInChI=1S/C9H12N4/c10-4-7-1-2-12-9(3-7)13-5-8(11)6-13/h1-4,8,10H,5-6,11H2/b10-4+
InChIKeySERSJILJRRONQX-ONNFQVAWSA-N
MW176.22 g/mol
LogP0.23
Rot. Bonds2

About 1-(4-methanimidoyl-2-pyridinyl)azetidin-3-amine

1-(4-methanimidoyl-2-pyridinyl)azetidin-3-amine (PubChem CID 164877992) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(4-methanimidoyl-2-pyridinyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(4-methanimidoyl-2-pyridinyl)azetidin-3-amine
PubChem CID164877992
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name1-(4-methanimidoyl-2-pyridinyl)azetidin-3-amine
SMILES[H]/N=C/c1ccnc(N2CC(N)C2)c1
InChIInChI=1S/C9H12N4/c10-4-7-1-2-12-9(3-7)13-5-8(11)6-13/h1-4,8,10H,5-6,11H2/b10-4+
InChIKeySERSJILJRRONQX-ONNFQVAWSA-N
XLogP0.23
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methanimidoyl-2-pyridinyl)azetidin-3-amine?
The IUPAC name of 1-(4-methanimidoyl-2-pyridinyl)azetidin-3-amine (CID 164877992) is 1-(4-methanimidoyl-2-pyridinyl)azetidin-3-amine.
What is the SMILES notation for 1-(4-methanimidoyl-2-pyridinyl)azetidin-3-amine?
The canonical SMILES for 1-(4-methanimidoyl-2-pyridinyl)azetidin-3-amine is [H]/N=C/c1ccnc(N2CC(N)C2)c1.
What is the InChIKey of 1-(4-methanimidoyl-2-pyridinyl)azetidin-3-amine?
The InChIKey is SERSJILJRRONQX-ONNFQVAWSA-N. The full InChI is InChI=1S/C9H12N4/c10-4-7-1-2-12-9(3-7)13-5-8(11)6-13/h1-4,8,10H,5-6,11H2/b10-4+.
What are the key properties of 1-(4-methanimidoyl-2-pyridinyl)azetidin-3-amine?
1-(4-methanimidoyl-2-pyridinyl)azetidin-3-amine has a molecular weight of 176.22 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methanimidoyl-2-pyridinyl)azetidin-3-amine is sourced from PubChem (CID 164877992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).