1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine

C11H16N6 — CID 130219068

IUPAC1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
SMILESCC1=NC(C)C(C)=C2CC(c3nn[nH]n3)CN12
InChIInChI=1S/C11H16N6/c1-6-7(2)12-8(3)17-5-9(4-10(6)17)11-13-15-16-14-11/h7,9H,4-5H2,1-3H3,(H,13,14,15,16)
InChIKeyPKDFBZRSAZUEOC-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.08
Rot. Bonds1

About 1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine

1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine (PubChem CID 130219068) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine.

Molecular Properties

Compound Name1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
PubChem CID130219068
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
SMILESCC1=NC(C)C(C)=C2CC(c3nn[nH]n3)CN12
InChIInChI=1S/C11H16N6/c1-6-7(2)12-8(3)17-5-9(4-10(6)17)11-13-15-16-14-11/h7,9H,4-5H2,1-3H3,(H,13,14,15,16)
InChIKeyPKDFBZRSAZUEOC-UHFFFAOYSA-N
XLogP1.08
TPSA70.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine?
The IUPAC name of 1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine (CID 130219068) is 1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine.
What is the SMILES notation for 1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine?
The canonical SMILES for 1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine is CC1=NC(C)C(C)=C2CC(c3nn[nH]n3)CN12.
What is the InChIKey of 1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine?
The InChIKey is PKDFBZRSAZUEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-6-7(2)12-8(3)17-5-9(4-10(6)17)11-13-15-16-14-11/h7,9H,4-5H2,1-3H3,(H,13,14,15,16).
What are the key properties of 1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine?
1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine has a molecular weight of 232.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine is sourced from PubChem (CID 130219068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).