4-(methyliminomethyl)-1-(oxan-4-yl)pyrazol-5-amine

C10H16N4O — CID 90886654

IUPAC4-(methyliminomethyl)-1-(oxan-4-yl)pyrazol-5-amine
SMILESC/N=C/c1cnn(C2CCOCC2)c1N
InChIInChI=1S/C10H16N4O/c1-12-6-8-7-13-14(10(8)11)9-2-4-15-5-3-9/h6-7,9H,2-5,11H2,1H3/b12-6+
InChIKeySZHRXALDLOYQAO-WUXMJOGZSA-N
MW208.26 g/mol
LogP0.87
Rot. Bonds2

About 4-(methyliminomethyl)-1-(oxan-4-yl)pyrazol-5-amine

4-(methyliminomethyl)-1-(oxan-4-yl)pyrazol-5-amine (PubChem CID 90886654) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(methyliminomethyl)-1-(oxan-4-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(methyliminomethyl)-1-(oxan-4-yl)pyrazol-5-amine
PubChem CID90886654
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-(methyliminomethyl)-1-(oxan-4-yl)pyrazol-5-amine
SMILESC/N=C/c1cnn(C2CCOCC2)c1N
InChIInChI=1S/C10H16N4O/c1-12-6-8-7-13-14(10(8)11)9-2-4-15-5-3-9/h6-7,9H,2-5,11H2,1H3/b12-6+
InChIKeySZHRXALDLOYQAO-WUXMJOGZSA-N
XLogP0.87
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-(methyliminomethyl)-1-(oxan-4-yl)pyrazol-5-amine?
The IUPAC name of 4-(methyliminomethyl)-1-(oxan-4-yl)pyrazol-5-amine (CID 90886654) is 4-(methyliminomethyl)-1-(oxan-4-yl)pyrazol-5-amine.
What is the SMILES notation for 4-(methyliminomethyl)-1-(oxan-4-yl)pyrazol-5-amine?
The canonical SMILES for 4-(methyliminomethyl)-1-(oxan-4-yl)pyrazol-5-amine is C/N=C/c1cnn(C2CCOCC2)c1N.
What is the InChIKey of 4-(methyliminomethyl)-1-(oxan-4-yl)pyrazol-5-amine?
The InChIKey is SZHRXALDLOYQAO-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H16N4O/c1-12-6-8-7-13-14(10(8)11)9-2-4-15-5-3-9/h6-7,9H,2-5,11H2,1H3/b12-6+.
What are the key properties of 4-(methyliminomethyl)-1-(oxan-4-yl)pyrazol-5-amine?
4-(methyliminomethyl)-1-(oxan-4-yl)pyrazol-5-amine has a molecular weight of 208.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methyliminomethyl)-1-(oxan-4-yl)pyrazol-5-amine is sourced from PubChem (CID 90886654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).