1-(phosphanylideneamino)oxy-3-(1,2,4-triazol-1-yl)propan-2-ol

C5H9N4O2P — CID 153427100

IUPAC1-(phosphanylideneamino)oxy-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILES[H]/P=N/OCC(O)Cn1cncn1
InChIInChI=1S/C5H9N4O2P/c10-5(2-11-8-12)1-9-4-6-3-7-9/h3-5,10,12H,1-2H2
InChIKeyVKWDZYILXQUKAN-UHFFFAOYSA-N
MW188.13 g/mol
LogP-0.10
Rot. Bonds5

About 1-(phosphanylideneamino)oxy-3-(1,2,4-triazol-1-yl)propan-2-ol

1-(phosphanylideneamino)oxy-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 153427100) has the molecular formula C5H9N4O2P and a molecular weight of 188.13 g/mol. Its IUPAC name is 1-(phosphanylideneamino)oxy-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(phosphanylideneamino)oxy-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID153427100
Molecular FormulaC5H9N4O2P
Molecular Weight188.13 g/mol
Exact Mass188.05
IUPAC Name1-(phosphanylideneamino)oxy-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILES[H]/P=N/OCC(O)Cn1cncn1
InChIInChI=1S/C5H9N4O2P/c10-5(2-11-8-12)1-9-4-6-3-7-9/h3-5,10,12H,1-2H2
InChIKeyVKWDZYILXQUKAN-UHFFFAOYSA-N
XLogP-0.10
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 59990743
1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 19849797
1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70382628
1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 21249467
1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 175114799
(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol
CID 51669163
1-[(2S)-2-methylbutyl]-1,2,4-triazole
CID 89197135
(2R)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanethioamide
CID 142091668
2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 63810853
5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol
CID 19022866
1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 11690353
2-carbamoyloxy-3-(1,2,4-triazol-1-yl)propanoic acid
CID 155012654

Frequently Asked Questions

What is the IUPAC name of 1-(phosphanylideneamino)oxy-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 1-(phosphanylideneamino)oxy-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 153427100) is 1-(phosphanylideneamino)oxy-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(phosphanylideneamino)oxy-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(phosphanylideneamino)oxy-3-(1,2,4-triazol-1-yl)propan-2-ol is [H]/P=N/OCC(O)Cn1cncn1.
What is the InChIKey of 1-(phosphanylideneamino)oxy-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is VKWDZYILXQUKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N4O2P/c10-5(2-11-8-12)1-9-4-6-3-7-9/h3-5,10,12H,1-2H2.
What are the key properties of 1-(phosphanylideneamino)oxy-3-(1,2,4-triazol-1-yl)propan-2-ol?
1-(phosphanylideneamino)oxy-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 188.13 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phosphanylideneamino)oxy-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 153427100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).