1-methyl-5-propyltetrazole

C5H10N4 — CID 13258499

IUPAC1-methyl-5-propyltetrazole
SMILESCCCc1nnnn1C
InChIInChI=1S/C5H10N4/c1-3-4-5-6-7-8-9(5)2/h3-4H2,1-2H3
InChIKeyVBHNDUQLKUVZIZ-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.16
Rot. Bonds2

About 1-methyl-5-propyltetrazole

1-methyl-5-propyltetrazole (PubChem CID 13258499) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-methyl-5-propyltetrazole.

Molecular Properties

Compound Name1-methyl-5-propyltetrazole
PubChem CID13258499
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name1-methyl-5-propyltetrazole
SMILESCCCc1nnnn1C
InChIInChI=1S/C5H10N4/c1-3-4-5-6-7-8-9(5)2/h3-4H2,1-2H3
InChIKeyVBHNDUQLKUVZIZ-UHFFFAOYSA-N
XLogP0.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-Dimethyltetrazole
CID 78825
1,2-bis(1-methyl-1H-tetrazol-5-yl)ethane
CID 1966579
1-Isobutyl-5-methyl-1H-tetrazole
CID 3021461
5-tert-Butyl-1-methyl-1H-tetrazole
CID 14114326
5-(2-Methoxyethyl)-1-methyl-1H-tetrazole
CID 333933
5-(2-chloroethyl)-1-methyl-1H-tetrazole
CID 12595134
5-(1-chloroethyl)-1-methyl-1H-1,2,3,4-tetrazole
CID 75525698
1,4,5-Trimethyltetrazolium iodide
CID 17389493
5-Ethyl-1-methyl-1h-tetrazole
CID 283423
5-(beta-Dimethylaminoethyl)-1-methyltetrazole
CID 910878
1,2,5-Trimethyltetrazol-1-ium
CID 54306926
5-Butyl-1-methyltetrazole
CID 69031427

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propyltetrazole?
The IUPAC name of 1-methyl-5-propyltetrazole (CID 13258499) is 1-methyl-5-propyltetrazole.
What is the SMILES notation for 1-methyl-5-propyltetrazole?
The canonical SMILES for 1-methyl-5-propyltetrazole is CCCc1nnnn1C.
What is the InChIKey of 1-methyl-5-propyltetrazole?
The InChIKey is VBHNDUQLKUVZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-3-4-5-6-7-8-9(5)2/h3-4H2,1-2H3.
What are the key properties of 1-methyl-5-propyltetrazole?
1-methyl-5-propyltetrazole has a molecular weight of 126.16 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propyltetrazole is sourced from PubChem (CID 13258499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).