N-[amino-[4-[(1R)-1-(pyrazin-2-ylamino)ethyl]phenyl]methyl]hydroxylamine

C13H17N5O — CID 153384032

IUPACN-[amino-[4-[(1R)-1-(pyrazin-2-ylamino)ethyl]phenyl]methyl]hydroxylamine
SMILESC[C@@H](Nc1cnccn1)c1ccc(C(N)NO)cc1
InChIInChI=1S/C13H17N5O/c1-9(17-12-8-15-6-7-16-12)10-2-4-11(5-3-10)13(14)18-19/h2-9,13,18-19H,14H2,1H3,(H,16,17)/t9-,13?/m1/s1
InChIKeyDFHNILWTOSSFFK-CGCSKFHYSA-N
MW259.31 g/mol
LogP1.59
Rot. Bonds5

About N-[amino-[4-[(1R)-1-(pyrazin-2-ylamino)ethyl]phenyl]methyl]hydroxylamine

N-[amino-[4-[(1R)-1-(pyrazin-2-ylamino)ethyl]phenyl]methyl]hydroxylamine (PubChem CID 153384032) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[amino-[4-[(1R)-1-(pyrazin-2-ylamino)ethyl]phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[amino-[4-[(1R)-1-(pyrazin-2-ylamino)ethyl]phenyl]methyl]hydroxylamine
PubChem CID153384032
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[amino-[4-[(1R)-1-(pyrazin-2-ylamino)ethyl]phenyl]methyl]hydroxylamine
SMILESC[C@@H](Nc1cnccn1)c1ccc(C(N)NO)cc1
InChIInChI=1S/C13H17N5O/c1-9(17-12-8-15-6-7-16-12)10-2-4-11(5-3-10)13(14)18-19/h2-9,13,18-19H,14H2,1H3,(H,16,17)/t9-,13?/m1/s1
InChIKeyDFHNILWTOSSFFK-CGCSKFHYSA-N
XLogP1.59
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 N-[amino-[4-[(1R)-1-(pyrazin-2-ylamino)ethyl]phenyl]methyl]hydroxylamine?
The IUPAC name of N-[amino-[4-[(1R)-1-(pyrazin-2-ylamino)ethyl]phenyl]methyl]hydroxylamine (CID 153384032) is N-[amino-[4-[(1R)-1-(pyrazin-2-ylamino)ethyl]phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[amino-[4-[(1R)-1-(pyrazin-2-ylamino)ethyl]phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[amino-[4-[(1R)-1-(pyrazin-2-ylamino)ethyl]phenyl]methyl]hydroxylamine is C[C@@H](Nc1cnccn1)c1ccc(C(N)NO)cc1.
What is the InChIKey of N-[amino-[4-[(1R)-1-(pyrazin-2-ylamino)ethyl]phenyl]methyl]hydroxylamine?
The InChIKey is DFHNILWTOSSFFK-CGCSKFHYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9(17-12-8-15-6-7-16-12)10-2-4-11(5-3-10)13(14)18-19/h2-9,13,18-19H,14H2,1H3,(H,16,17)/t9-,13?/m1/s1.
What are the key properties of N-[amino-[4-[(1R)-1-(pyrazin-2-ylamino)ethyl]phenyl]methyl]hydroxylamine?
N-[amino-[4-[(1R)-1-(pyrazin-2-ylamino)ethyl]phenyl]methyl]hydroxylamine has a molecular weight of 259.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[4-[(1R)-1-(pyrazin-2-ylamino)ethyl]phenyl]methyl]hydroxylamine is sourced from PubChem (CID 153384032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).