(NE)-N-[[5-(2-pyridin-3-ylethyl)pyrazin-2-yl]methylidene]hydroxylamine

C12H12N4O — CID 162753346

IUPAC(NE)-N-[[5-(2-pyridin-3-ylethyl)pyrazin-2-yl]methylidene]hydroxylamine
SMILESO/N=C/c1cnc(CCc2cccnc2)cn1
InChIInChI=1S/C12H12N4O/c17-16-9-12-8-14-11(7-15-12)4-3-10-2-1-5-13-6-10/h1-2,5-9,17H,3-4H2/b16-9+
InChIKeyBTHCEYSUNOBVLM-CXUHLZMHSA-N
MW228.26 g/mol
LogP1.46
Rot. Bonds4

About (NE)-N-[[5-(2-pyridin-3-ylethyl)pyrazin-2-yl]methylidene]hydroxylamine

(NE)-N-[[5-(2-pyridin-3-ylethyl)pyrazin-2-yl]methylidene]hydroxylamine (PubChem CID 162753346) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is (NE)-N-[[5-(2-pyridin-3-ylethyl)pyrazin-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[5-(2-pyridin-3-ylethyl)pyrazin-2-yl]methylidene]hydroxylamine
PubChem CID162753346
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name(NE)-N-[[5-(2-pyridin-3-ylethyl)pyrazin-2-yl]methylidene]hydroxylamine
SMILESO/N=C/c1cnc(CCc2cccnc2)cn1
InChIInChI=1S/C12H12N4O/c17-16-9-12-8-14-11(7-15-12)4-3-10-2-1-5-13-6-10/h1-2,5-9,17H,3-4H2/b16-9+
InChIKeyBTHCEYSUNOBVLM-CXUHLZMHSA-N
XLogP1.46
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[[4-(2-pyridin-3-ylethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine
CID 168824413
N-[[2-(2-pyridin-3-ylethyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine;hydrochloride
CID 168824427
(NZ)-N-[[2-(4-pyridin-3-ylbutyl)-1,3-thiazol-5-yl]methylidene]hydroxylamine;hydrochloride
CID 175911624
(NZ)-N-[[2-(4-pyridin-3-ylbut-1-ynyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride
CID 175867150
(NE)-N-[[2-(4-pyridin-3-ylbut-1-ynyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine
CID 168824419
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
[4-(2-pyridin-3-ylethyl)phenyl]methanol
CID 57319891
5-(4-fluorophenyl)-2-(2-pyridin-3-ylethyl)pyridine
CID 57217721
argon;2-pyridin-3-ylethanol
CID 159015973
N-(14-pyridin-3-yltetradec-11-enylidene)hydroxylamine
CID 85169050
(NE)-N-[[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 99642838
2-(2-pyridin-3-ylethyl)-1,3-thiazole
CID 141425533

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[5-(2-pyridin-3-ylethyl)pyrazin-2-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[5-(2-pyridin-3-ylethyl)pyrazin-2-yl]methylidene]hydroxylamine (CID 162753346) is (NE)-N-[[5-(2-pyridin-3-ylethyl)pyrazin-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[5-(2-pyridin-3-ylethyl)pyrazin-2-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[5-(2-pyridin-3-ylethyl)pyrazin-2-yl]methylidene]hydroxylamine is O/N=C/c1cnc(CCc2cccnc2)cn1.
What is the InChIKey of (NE)-N-[[5-(2-pyridin-3-ylethyl)pyrazin-2-yl]methylidene]hydroxylamine?
The InChIKey is BTHCEYSUNOBVLM-CXUHLZMHSA-N. The full InChI is InChI=1S/C12H12N4O/c17-16-9-12-8-14-11(7-15-12)4-3-10-2-1-5-13-6-10/h1-2,5-9,17H,3-4H2/b16-9+.
What are the key properties of (NE)-N-[[5-(2-pyridin-3-ylethyl)pyrazin-2-yl]methylidene]hydroxylamine?
(NE)-N-[[5-(2-pyridin-3-ylethyl)pyrazin-2-yl]methylidene]hydroxylamine has a molecular weight of 228.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[5-(2-pyridin-3-ylethyl)pyrazin-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 162753346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).