2-methyl-5-propan-2-yltetrazole

C5H10N4 — CID 23551500

IUPAC2-methyl-5-propan-2-yltetrazole
SMILESCC(C)c1nnn(C)n1
InChIInChI=1S/C5H10N4/c1-4(2)5-6-8-9(3)7-5/h4H,1-3H3
InChIKeyDFWBCRVPJYOOPT-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.33
Rot. Bonds1

About 2-methyl-5-propan-2-yltetrazole

2-methyl-5-propan-2-yltetrazole (PubChem CID 23551500) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yltetrazole.

Molecular Properties

Compound Name2-methyl-5-propan-2-yltetrazole
PubChem CID23551500
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name2-methyl-5-propan-2-yltetrazole
SMILESCC(C)c1nnn(C)n1
InChIInChI=1S/C5H10N4/c1-4(2)5-6-8-9(3)7-5/h4H,1-3H3
InChIKeyDFWBCRVPJYOOPT-UHFFFAOYSA-N
XLogP0.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yltetrazole?
The IUPAC name of 2-methyl-5-propan-2-yltetrazole (CID 23551500) is 2-methyl-5-propan-2-yltetrazole.
What is the SMILES notation for 2-methyl-5-propan-2-yltetrazole?
The canonical SMILES for 2-methyl-5-propan-2-yltetrazole is CC(C)c1nnn(C)n1.
What is the InChIKey of 2-methyl-5-propan-2-yltetrazole?
The InChIKey is DFWBCRVPJYOOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-4(2)5-6-8-9(3)7-5/h4H,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yltetrazole?
2-methyl-5-propan-2-yltetrazole has a molecular weight of 126.16 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yltetrazole is sourced from PubChem (CID 23551500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).