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

C9H11N11 — CID 135625404

IUPAC2-(2H-tetrazol-5-yl)-5-(2H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESc1c(-c2nn[nH]n2)nc2n1C(Cc1nn[nH]n1)CCN2
InChIInChI=1S/C9H11N11/c1-2-10-9-11-6(8-14-18-19-15-8)4-20(9)5(1)3-7-12-16-17-13-7/h4-5H,1-3H2,(H,10,11)(H,12,13,16,17)(H,14,15,18,19)
InChIKeyMOMDDEJRCIVNCX-UHFFFAOYSA-N
MW273.26 g/mol
LogP-0.82
Rot. Bonds3

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

2-(2H-tetrazol-5-yl)-5-(2H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 135625404) has the molecular formula C9H11N11 and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)-5-(2H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)-5-(2H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID135625404
Molecular FormulaC9H11N11
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name2-(2H-tetrazol-5-yl)-5-(2H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESc1c(-c2nn[nH]n2)nc2n1C(Cc1nn[nH]n1)CCN2
InChIInChI=1S/C9H11N11/c1-2-10-9-11-6(8-14-18-19-15-8)4-20(9)5(1)3-7-12-16-17-13-7/h4-5H,1-3H2,(H,10,11)(H,12,13,16,17)(H,14,15,18,19)
InChIKeyMOMDDEJRCIVNCX-UHFFFAOYSA-N
XLogP-0.82
TPSA138.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)-5-(2H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(2H-tetrazol-5-yl)-5-(2H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 135625404) is 2-(2H-tetrazol-5-yl)-5-(2H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)-5-(2H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(2H-tetrazol-5-yl)-5-(2H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is c1c(-c2nn[nH]n2)nc2n1C(Cc1nn[nH]n1)CCN2.
What is the InChIKey of 2-(2H-tetrazol-5-yl)-5-(2H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is MOMDDEJRCIVNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N11/c1-2-10-9-11-6(8-14-18-19-15-8)4-20(9)5(1)3-7-12-16-17-13-7/h4-5H,1-3H2,(H,10,11)(H,12,13,16,17)(H,14,15,18,19).
What are the key properties of 2-(2H-tetrazol-5-yl)-5-(2H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
2-(2H-tetrazol-5-yl)-5-(2H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 273.26 g/mol, XLogP of -0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)-5-(2H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 135625404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).