[2-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl]phosphonamidic acid

C7H11N8O2P — CID 135625415

IUPAC[2-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl]phosphonamidic acid
SMILESNP(=O)(O)C1CCNc2nc(-c3nn[nH]n3)cn21
InChIInChI=1S/C7H11N8O2P/c8-18(16,17)5-1-2-9-7-10-4(3-15(5)7)6-11-13-14-12-6/h3,5H,1-2H2,(H,9,10)(H3,8,16,17)(H,11,12,13,14)
InChIKeyRYHBJKBINVNYDP-UHFFFAOYSA-N
MW270.19 g/mol
LogP-0.48
Rot. Bonds2

About [2-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl]phosphonamidic acid

[2-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl]phosphonamidic acid (PubChem CID 135625415) has the molecular formula C7H11N8O2P and a molecular weight of 270.19 g/mol. Its IUPAC name is [2-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl]phosphonamidic acid.

Molecular Properties

Compound Name[2-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl]phosphonamidic acid
PubChem CID135625415
Molecular FormulaC7H11N8O2P
Molecular Weight270.19 g/mol
Exact Mass270.07
IUPAC Name[2-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl]phosphonamidic acid
SMILESNP(=O)(O)C1CCNc2nc(-c3nn[nH]n3)cn21
InChIInChI=1S/C7H11N8O2P/c8-18(16,17)5-1-2-9-7-10-4(3-15(5)7)6-11-13-14-12-6/h3,5H,1-2H2,(H,9,10)(H3,8,16,17)(H,11,12,13,14)
InChIKeyRYHBJKBINVNYDP-UHFFFAOYSA-N
XLogP-0.48
TPSA147.63 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2,6-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 135625424
6-methoxy-2,5-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 135625423
5-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 135625439
7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 70985298
[1-hydroxy-2-[2-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]ethyl]phosphonic acid
CID 67940771
2-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 19701356
[6-chloro-5-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phosphonic acid
CID 19701484
4-[4-(2H-tetrazol-5-yl)phenyl]piperidine
CID 84792848
2-hydroxy-3-[2-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]propanoic acid
CID 19701209
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
ethyl 5-(2-diethoxyphosphanylethenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylate
CID 173358268
4-[4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-imidazol-5-yl]piperidin-2-one
CID 118987750

Frequently Asked Questions

What is the IUPAC name of [2-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl]phosphonamidic acid?
The IUPAC name of [2-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl]phosphonamidic acid (CID 135625415) is [2-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl]phosphonamidic acid.
What is the SMILES notation for [2-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl]phosphonamidic acid?
The canonical SMILES for [2-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl]phosphonamidic acid is NP(=O)(O)C1CCNc2nc(-c3nn[nH]n3)cn21.
What is the InChIKey of [2-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl]phosphonamidic acid?
The InChIKey is RYHBJKBINVNYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N8O2P/c8-18(16,17)5-1-2-9-7-10-4(3-15(5)7)6-11-13-14-12-6/h3,5H,1-2H2,(H,9,10)(H3,8,16,17)(H,11,12,13,14).
What are the key properties of [2-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl]phosphonamidic acid?
[2-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl]phosphonamidic acid has a molecular weight of 270.19 g/mol, XLogP of -0.48, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl]phosphonamidic acid is sourced from PubChem (CID 135625415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).