5-(1-ethylpyrazol-4-yl)-2-methyltetrazole

C7H10N6 — CID 90028409

IUPAC5-(1-ethylpyrazol-4-yl)-2-methyltetrazole
SMILESCCn1cc(-c2nnn(C)n2)cn1
InChIInChI=1S/C7H10N6/c1-3-13-5-6(4-8-13)7-9-11-12(2)10-7/h4-5H,3H2,1-2H3
InChIKeyGONALAMZGOSVBQ-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.09
Rot. Bonds2

About 5-(1-ethylpyrazol-4-yl)-2-methyltetrazole

5-(1-ethylpyrazol-4-yl)-2-methyltetrazole (PubChem CID 90028409) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)-2-methyltetrazole.

Molecular Properties

Compound Name5-(1-ethylpyrazol-4-yl)-2-methyltetrazole
PubChem CID90028409
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name5-(1-ethylpyrazol-4-yl)-2-methyltetrazole
SMILESCCn1cc(-c2nnn(C)n2)cn1
InChIInChI=1S/C7H10N6/c1-3-13-5-6(4-8-13)7-9-11-12(2)10-7/h4-5H,3H2,1-2H3
InChIKeyGONALAMZGOSVBQ-UHFFFAOYSA-N
XLogP0.09
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)-2-methyltetrazole?
The IUPAC name of 5-(1-ethylpyrazol-4-yl)-2-methyltetrazole (CID 90028409) is 5-(1-ethylpyrazol-4-yl)-2-methyltetrazole.
What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)-2-methyltetrazole?
The canonical SMILES for 5-(1-ethylpyrazol-4-yl)-2-methyltetrazole is CCn1cc(-c2nnn(C)n2)cn1.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)-2-methyltetrazole?
The InChIKey is GONALAMZGOSVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-3-13-5-6(4-8-13)7-9-11-12(2)10-7/h4-5H,3H2,1-2H3.
What are the key properties of 5-(1-ethylpyrazol-4-yl)-2-methyltetrazole?
5-(1-ethylpyrazol-4-yl)-2-methyltetrazole has a molecular weight of 178.20 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)-2-methyltetrazole is sourced from PubChem (CID 90028409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).