[[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]carbamoyl-methylhydrazinylidene]azanium

C10H14FN4O2+ — CID 163934926

IUPAC[[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]carbamoyl-methylhydrazinylidene]azanium
SMILESCc1ccc(F)c(NC(=O)N(C)N=[NH2+])c1CO
InChIInChI=1S/C10H13FN4O2/c1-6-3-4-8(11)9(7(6)5-16)13-10(17)15(2)14-12/h3-4,12,16H,5H2,1-2H3,(H,13,17)/p+1
InChIKeyRLWUJIJMRJEEJH-UHFFFAOYSA-O
MW241.25 g/mol
LogP0.22
Rot. Bonds3

About [[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]carbamoyl-methylhydrazinylidene]azanium

[[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]carbamoyl-methylhydrazinylidene]azanium (PubChem CID 163934926) has the molecular formula C10H14FN4O2+ and a molecular weight of 241.25 g/mol. Its IUPAC name is [[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]carbamoyl-methylhydrazinylidene]azanium.

Molecular Properties

Compound Name[[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]carbamoyl-methylhydrazinylidene]azanium
PubChem CID163934926
Molecular FormulaC10H14FN4O2+
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name[[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]carbamoyl-methylhydrazinylidene]azanium
SMILESCc1ccc(F)c(NC(=O)N(C)N=[NH2+])c1CO
InChIInChI=1S/C10H13FN4O2/c1-6-3-4-8(11)9(7(6)5-16)13-10(17)15(2)14-12/h3-4,12,16H,5H2,1-2H3,(H,13,17)/p+1
InChIKeyRLWUJIJMRJEEJH-UHFFFAOYSA-O
XLogP0.22
TPSA90.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-diamino-1-[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]urea;ethane
CID 144830719
1,3-diamino-1-[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]-3-methylurea
CID 129110145
2-[(2,6-difluoro-3-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 82819422
2-[(2,6-difluoro-3-methylphenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 82819343
2-[(2,6-difluoro-3-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 82802624
N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82820072
3-[(2-bromo-3-fluoro-6-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 122094464
3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide
CID 82819128
N-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide
CID 82819991
3-(2,6-difluoro-3-methylanilino)-3-oxopropanoic acid
CID 82820377
2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 82815708
4-(2,6-difluoro-3-methylanilino)-N,N-dimethylbutanamide
CID 82818166

Frequently Asked Questions

What is the IUPAC name of [[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]carbamoyl-methylhydrazinylidene]azanium?
The IUPAC name of [[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]carbamoyl-methylhydrazinylidene]azanium (CID 163934926) is [[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]carbamoyl-methylhydrazinylidene]azanium.
What is the SMILES notation for [[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]carbamoyl-methylhydrazinylidene]azanium?
The canonical SMILES for [[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]carbamoyl-methylhydrazinylidene]azanium is Cc1ccc(F)c(NC(=O)N(C)N=[NH2+])c1CO.
What is the InChIKey of [[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]carbamoyl-methylhydrazinylidene]azanium?
The InChIKey is RLWUJIJMRJEEJH-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13FN4O2/c1-6-3-4-8(11)9(7(6)5-16)13-10(17)15(2)14-12/h3-4,12,16H,5H2,1-2H3,(H,13,17)/p+1.
What are the key properties of [[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]carbamoyl-methylhydrazinylidene]azanium?
[[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]carbamoyl-methylhydrazinylidene]azanium has a molecular weight of 241.25 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]carbamoyl-methylhydrazinylidene]azanium is sourced from PubChem (CID 163934926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).