5-methyl-2-propan-2-yltetrazole

C5H10N4 — CID 15724017

IUPAC5-methyl-2-propan-2-yltetrazole
SMILESCc1nnn(C(C)C)n1
InChIInChI=1S/C5H10N4/c1-4(2)9-7-5(3)6-8-9/h4H,1-3H3
InChIKeySOBPZDUPDWLOAK-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.56
Rot. Bonds1

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

5-methyl-2-propan-2-yltetrazole (PubChem CID 15724017) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yltetrazole.

Molecular Properties

Compound Name5-methyl-2-propan-2-yltetrazole
PubChem CID15724017
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name5-methyl-2-propan-2-yltetrazole
SMILESCc1nnn(C(C)C)n1
InChIInChI=1S/C5H10N4/c1-4(2)9-7-5(3)6-8-9/h4H,1-3H3
InChIKeySOBPZDUPDWLOAK-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yltetrazole?
The IUPAC name of 5-methyl-2-propan-2-yltetrazole (CID 15724017) is 5-methyl-2-propan-2-yltetrazole.
What is the SMILES notation for 5-methyl-2-propan-2-yltetrazole?
The canonical SMILES for 5-methyl-2-propan-2-yltetrazole is Cc1nnn(C(C)C)n1.
What is the InChIKey of 5-methyl-2-propan-2-yltetrazole?
The InChIKey is SOBPZDUPDWLOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-4(2)9-7-5(3)6-8-9/h4H,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yltetrazole?
5-methyl-2-propan-2-yltetrazole has a molecular weight of 126.16 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yltetrazole is sourced from PubChem (CID 15724017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).