6-methoxy-2,5-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

C9H11N11O — CID 135625423

IUPAC6-methoxy-2,5-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCOC1CNc2nc(-c3nn[nH]n3)cn2C1c1nn[nH]n1
InChIInChI=1S/C9H11N11O/c1-21-5-2-10-9-11-4(7-12-16-17-13-7)3-20(9)6(5)8-14-18-19-15-8/h3,5-6H,2H2,1H3,(H,10,11)(H,12,13,16,17)(H,14,15,18,19)
InChIKeyLDARZMQZPYIWGK-UHFFFAOYSA-N
MW289.26 g/mol
LogP-1.39
Rot. Bonds3

About 6-methoxy-2,5-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

6-methoxy-2,5-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 135625423) has the molecular formula C9H11N11O and a molecular weight of 289.26 g/mol. Its IUPAC name is 6-methoxy-2,5-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-methoxy-2,5-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID135625423
Molecular FormulaC9H11N11O
Molecular Weight289.26 g/mol
Exact Mass289.11
IUPAC Name6-methoxy-2,5-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCOC1CNc2nc(-c3nn[nH]n3)cn2C1c1nn[nH]n1
InChIInChI=1S/C9H11N11O/c1-21-5-2-10-9-11-4(7-12-16-17-13-7)3-20(9)6(5)8-14-18-19-15-8/h3,5-6H,2H2,1H3,(H,10,11)(H,12,13,16,17)(H,14,15,18,19)
InChIKeyLDARZMQZPYIWGK-UHFFFAOYSA-N
XLogP-1.39
TPSA148.00 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,5-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 6-methoxy-2,5-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 135625423) is 6-methoxy-2,5-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-methoxy-2,5-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-methoxy-2,5-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is COC1CNc2nc(-c3nn[nH]n3)cn2C1c1nn[nH]n1.
What is the InChIKey of 6-methoxy-2,5-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is LDARZMQZPYIWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N11O/c1-21-5-2-10-9-11-4(7-12-16-17-13-7)3-20(9)6(5)8-14-18-19-15-8/h3,5-6H,2H2,1H3,(H,10,11)(H,12,13,16,17)(H,14,15,18,19).
What are the key properties of 6-methoxy-2,5-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
6-methoxy-2,5-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 289.26 g/mol, XLogP of -1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,5-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 135625423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).