2-(1H-phosphol-2-yl)-4-(triazol-1-yl)-5-(1,2,4-triazol-1-yl)triazole

C10H8N9P — CID 173177206

IUPAC2-(1H-phosphol-2-yl)-4-(triazol-1-yl)-5-(1,2,4-triazol-1-yl)triazole
SMILESc1c[pH]c(-n2nc(-n3cncn3)c(-n3ccnn3)n2)c1
InChIInChI=1S/C10H8N9P/c1-2-8(20-5-1)19-14-9(17-4-3-12-16-17)10(15-19)18-7-11-6-13-18/h1-7,20H
InChIKeyZDCCQNDSGCAHRA-UHFFFAOYSA-N
MW285.21 g/mol
LogP0.46
Rot. Bonds3

About 2-(1H-phosphol-2-yl)-4-(triazol-1-yl)-5-(1,2,4-triazol-1-yl)triazole

2-(1H-phosphol-2-yl)-4-(triazol-1-yl)-5-(1,2,4-triazol-1-yl)triazole (PubChem CID 173177206) has the molecular formula C10H8N9P and a molecular weight of 285.21 g/mol. Its IUPAC name is 2-(1H-phosphol-2-yl)-4-(triazol-1-yl)-5-(1,2,4-triazol-1-yl)triazole.

Molecular Properties

Compound Name2-(1H-phosphol-2-yl)-4-(triazol-1-yl)-5-(1,2,4-triazol-1-yl)triazole
PubChem CID173177206
Molecular FormulaC10H8N9P
Molecular Weight285.21 g/mol
Exact Mass285.06
IUPAC Name2-(1H-phosphol-2-yl)-4-(triazol-1-yl)-5-(1,2,4-triazol-1-yl)triazole
SMILESc1c[pH]c(-n2nc(-n3cncn3)c(-n3ccnn3)n2)c1
InChIInChI=1S/C10H8N9P/c1-2-8(20-5-1)19-14-9(17-4-3-12-16-17)10(15-19)18-7-11-6-13-18/h1-7,20H
InChIKeyZDCCQNDSGCAHRA-UHFFFAOYSA-N
XLogP0.46
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole
CID 175284463
N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide
CID 167868250
3-isocyano-2-(1,2,4-triazol-1-yl)pyridine
CID 58973004
1-(1,2,4-triazol-1-yl)phthalazine
CID 55239789
1-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanesulfonamide
CID 63665812
N-(2,6-dimethylheptan-4-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167513
4-oxo-4-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]but-2-enoic acid
CID 61167729
(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride
CID 119859600
4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51983091
2-methoxy-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 62046673
ethane;3-(1-fluoroethyl)-2-(triazol-1-yl)pyridine
CID 145450746
2-(1,2,4-triazol-1-yl)pyridine-3-carbothioamide
CID 24696176

Frequently Asked Questions

What is the IUPAC name of 2-(1H-phosphol-2-yl)-4-(triazol-1-yl)-5-(1,2,4-triazol-1-yl)triazole?
The IUPAC name of 2-(1H-phosphol-2-yl)-4-(triazol-1-yl)-5-(1,2,4-triazol-1-yl)triazole (CID 173177206) is 2-(1H-phosphol-2-yl)-4-(triazol-1-yl)-5-(1,2,4-triazol-1-yl)triazole.
What is the SMILES notation for 2-(1H-phosphol-2-yl)-4-(triazol-1-yl)-5-(1,2,4-triazol-1-yl)triazole?
The canonical SMILES for 2-(1H-phosphol-2-yl)-4-(triazol-1-yl)-5-(1,2,4-triazol-1-yl)triazole is c1c[pH]c(-n2nc(-n3cncn3)c(-n3ccnn3)n2)c1.
What is the InChIKey of 2-(1H-phosphol-2-yl)-4-(triazol-1-yl)-5-(1,2,4-triazol-1-yl)triazole?
The InChIKey is ZDCCQNDSGCAHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N9P/c1-2-8(20-5-1)19-14-9(17-4-3-12-16-17)10(15-19)18-7-11-6-13-18/h1-7,20H.
What are the key properties of 2-(1H-phosphol-2-yl)-4-(triazol-1-yl)-5-(1,2,4-triazol-1-yl)triazole?
2-(1H-phosphol-2-yl)-4-(triazol-1-yl)-5-(1,2,4-triazol-1-yl)triazole has a molecular weight of 285.21 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-phosphol-2-yl)-4-(triazol-1-yl)-5-(1,2,4-triazol-1-yl)triazole is sourced from PubChem (CID 173177206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).