7-propan-2-yltetrazolo[1,5-a][1,3,5]triazine

C6H8N6 — CID 58514428

IUPAC7-propan-2-yltetrazolo[1,5-a][1,3,5]triazine
SMILESCC(C)c1ncnc2nnnn12
InChIInChI=1S/C6H8N6/c1-4(2)5-7-3-8-6-9-10-11-12(5)6/h3-4H,1-2H3
InChIKeyINFNYVLKJXPGKM-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.04
Rot. Bonds1

About 7-propan-2-yltetrazolo[1,5-a][1,3,5]triazine

7-propan-2-yltetrazolo[1,5-a][1,3,5]triazine (PubChem CID 58514428) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 7-propan-2-yltetrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name7-propan-2-yltetrazolo[1,5-a][1,3,5]triazine
PubChem CID58514428
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name7-propan-2-yltetrazolo[1,5-a][1,3,5]triazine
SMILESCC(C)c1ncnc2nnnn12
InChIInChI=1S/C6H8N6/c1-4(2)5-7-3-8-6-9-10-11-12(5)6/h3-4H,1-2H3
InChIKeyINFNYVLKJXPGKM-UHFFFAOYSA-N
XLogP0.04
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-5-azapurine
CID 118335569
7-Ethyl[1,2,4]triazolo[4,3-a][1,3,5]triazin-5amine
CID 145706263
2-Ethyl[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 12666258
5-Ethyl-7-methoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazine
CID 22367342
5-Tert-butyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine
CID 58332129
7-Tert-butyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine
CID 58332180
7-Propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine
CID 58514397
5-Propan-2-yl-[1,2,4]triazolo[4,3-a][1,3,5]triazine
CID 58514400
6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
CID 58759691
6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c]pyrimidine
CID 58759692
6-Methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 67471484
7-Methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine
CID 70221930

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yltetrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 7-propan-2-yltetrazolo[1,5-a][1,3,5]triazine (CID 58514428) is 7-propan-2-yltetrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 7-propan-2-yltetrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 7-propan-2-yltetrazolo[1,5-a][1,3,5]triazine is CC(C)c1ncnc2nnnn12.
What is the InChIKey of 7-propan-2-yltetrazolo[1,5-a][1,3,5]triazine?
The InChIKey is INFNYVLKJXPGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1-4(2)5-7-3-8-6-9-10-11-12(5)6/h3-4H,1-2H3.
What are the key properties of 7-propan-2-yltetrazolo[1,5-a][1,3,5]triazine?
7-propan-2-yltetrazolo[1,5-a][1,3,5]triazine has a molecular weight of 164.17 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yltetrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 58514428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).