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

C20H23N5O — CID 130451182

IUPAC[4-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenyl]methanol
SMILESNNc1nc(N)cc(C(Cc2ccc(CO)cc2)c2ccccc2)c1N
InChIInChI=1S/C20H23N5O/c21-18-11-17(19(22)20(24-18)25-23)16(15-4-2-1-3-5-15)10-13-6-8-14(12-26)9-7-13/h1-9,11,16,26H,10,12,22-23H2,(H3,21,24,25)
InChIKeyBXEGITNSQQSNFW-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.40
Rot. Bonds6

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

[4-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenyl]methanol (PubChem CID 130451182) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [4-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenyl]methanol
PubChem CID130451182
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[4-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenyl]methanol
SMILESNNc1nc(N)cc(C(Cc2ccc(CO)cc2)c2ccccc2)c1N
InChIInChI=1S/C20H23N5O/c21-18-11-17(19(22)20(24-18)25-23)16(15-4-2-1-3-5-15)10-13-6-8-14(12-26)9-7-13/h1-9,11,16,26H,10,12,22-23H2,(H3,21,24,25)
InChIKeyBXEGITNSQQSNFW-UHFFFAOYSA-N
XLogP2.40
TPSA123.21 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.40
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

1-[4-(3,6-Diamino-2-hydrazinyl-4-pyridinyl)-4-phenylbutyl]-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol
CID 145371714
[4-[1-(6-Amino-2-pyridinyl)-2-phenylethyl]phenyl]methanol
CID 68365842
[4-[(2Z)-1-amino-6-phenyl-2-propylidenepyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 118297386
[4-(5-Amino-6-benzyl-3-ethenylpyrazin-2-yl)-3-ethenylphenyl]methanol
CID 118391251
[3-Amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]methanol
CID 126676408
[4-[2-(2,6-Diamino-4-pyridinyl)-2-phenylethyl]phenyl]methanol
CID 130431695
[4-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenyl]methanol
CID 130431991
3-[2-(3,6-Diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenol
CID 130450650
1,5-Diphenyl-5-(2,3,6-triamino-4-pyridinyl)pentan-2-ol
CID 130450718
4-[3-(2-Benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
CID 130450775
4-[3-Amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]-4-phenylbutan-1-ol
CID 130451141
[4-[5-Amino-6-(1-anilinoethenyl)pyrazin-2-yl]phenyl]methanol
CID 132194813

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenyl]methanol?
The IUPAC name of [4-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenyl]methanol (CID 130451182) is [4-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenyl]methanol.
What is the SMILES notation for [4-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenyl]methanol?
The canonical SMILES for [4-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenyl]methanol is NNc1nc(N)cc(C(Cc2ccc(CO)cc2)c2ccccc2)c1N.
What is the InChIKey of [4-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenyl]methanol?
The InChIKey is BXEGITNSQQSNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c21-18-11-17(19(22)20(24-18)25-23)16(15-4-2-1-3-5-15)10-13-6-8-14(12-26)9-7-13/h1-9,11,16,26H,10,12,22-23H2,(H3,21,24,25).
What are the key properties of [4-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenyl]methanol?
[4-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenyl]methanol has a molecular weight of 349.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenyl]methanol is sourced from PubChem (CID 130451182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).