3-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenol

C19H21N5O — CID 130450650

IUPAC3-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenol
SMILESNNc1nc(N)cc(C(Cc2cccc(O)c2)c2ccccc2)c1N
InChIInChI=1S/C19H21N5O/c20-17-11-16(18(21)19(23-17)24-22)15(13-6-2-1-3-7-13)10-12-5-4-8-14(25)9-12/h1-9,11,15,25H,10,21-22H2,(H3,20,23,24)
InChIKeyIGAAYZYBHGLONM-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.61
Rot. Bonds5

About 3-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenol

3-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenol (PubChem CID 130450650) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenol.

Molecular Properties

Compound Name3-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenol
PubChem CID130450650
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenol
SMILESNNc1nc(N)cc(C(Cc2cccc(O)c2)c2ccccc2)c1N
InChIInChI=1S/C19H21N5O/c20-17-11-16(18(21)19(23-17)24-22)15(13-6-2-1-3-7-13)10-12-5-4-8-14(25)9-12/h1-9,11,15,25H,10,21-22H2,(H3,20,23,24)
InChIKeyIGAAYZYBHGLONM-UHFFFAOYSA-N
XLogP2.61
TPSA123.21 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-{(1E)-1-[2-(3-methylquinoxalin-2-yl)hydrazinylidene]ethyl}phenol
CID 135411632
6-Hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,5-diamine
CID 145270347
2-Amino-4-(3-hydroxyphenyl)-6-phenylnicotinonitrile
CID 129841498
2-(6-Hydrazineylpyridin-2-yl)-5-(trifluoromethyl)phenol
CID 178403101
2-[C-methyl-N-[(3-methylquinoxalin-2-yl)amino]carbonimidoyl]phenol
CID 2867665
4-[1-amino-6-(2-phenylethyl)-4H-pyrido[2,3-b]pyrazin-3-yl]phenol
CID 22725030
2,5,6-Triamino-4-(3-hydroxyphenyl)pyridine-3-carbonitrile
CID 71012635
6-Hydrazinyl-4-[(3-phenylmethoxyphenyl)methyl]pyridine-2,5-diamine
CID 126679443
4-[1-(3-Methoxyphenyl)-2-phenylethyl]pyridine-2,3,6-triamine
CID 130431724
3-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenol
CID 130450649
6-Hydrazinyl-4-[1-phenyl-2-(4-phenylmethoxyphenyl)ethyl]pyridine-2,5-diamine
CID 130450958
6-Hydrazinyl-4-[1-phenyl-2-(3-phenylmethoxyphenyl)ethyl]pyridine-2,5-diamine
CID 130450967

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenol?
The IUPAC name of 3-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenol (CID 130450650) is 3-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenol.
What is the SMILES notation for 3-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenol?
The canonical SMILES for 3-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenol is NNc1nc(N)cc(C(Cc2cccc(O)c2)c2ccccc2)c1N.
What is the InChIKey of 3-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenol?
The InChIKey is IGAAYZYBHGLONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c20-17-11-16(18(21)19(23-17)24-22)15(13-6-2-1-3-7-13)10-12-5-4-8-14(25)9-12/h1-9,11,15,25H,10,21-22H2,(H3,20,23,24).
What are the key properties of 3-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenol?
3-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenol has a molecular weight of 335.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenol is sourced from PubChem (CID 130450650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).