7-propan-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

C7H13N5 — CID 136840385

IUPAC7-propan-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCC(C)C1CCNc2nnnn21
InChIInChI=1S/C7H13N5/c1-5(2)6-3-4-8-7-9-10-11-12(6)7/h5-6H,3-4H2,1-2H3,(H,8,9,11)
InChIKeyAAIQOLWPRZDQLW-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.69
Rot. Bonds1

About 7-propan-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

7-propan-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 136840385) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 7-propan-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-propan-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID136840385
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name7-propan-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCC(C)C1CCNc2nnnn21
InChIInChI=1S/C7H13N5/c1-5(2)6-3-4-8-7-9-10-11-12(6)7/h5-6H,3-4H2,1-2H3,(H,8,9,11)
InChIKeyAAIQOLWPRZDQLW-UHFFFAOYSA-N
XLogP0.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-tert-butyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136840343
7-propan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136709329
7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 137012178
3-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine
CID 136837668
7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136840344
2-(3-chlorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839688
7-naphthalen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136840374
2-(2-methylcyclopropyl)-7-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838829
6-propan-2-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
CID 136841580
7-propan-2-yl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838267
3-bromo-7-propan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841805
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136840365

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-propan-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 136840385) is 7-propan-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-propan-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-propan-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is CC(C)C1CCNc2nnnn21.
What is the InChIKey of 7-propan-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is AAIQOLWPRZDQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-5(2)6-3-4-8-7-9-10-11-12(6)7/h5-6H,3-4H2,1-2H3,(H,8,9,11).
What are the key properties of 7-propan-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
7-propan-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 167.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136840385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).