5-(5-methylcyclohepta-1,3,6-trien-1-yl)-2H-tetrazole

C9H10N4 — CID 143622116

IUPAC5-(5-methylcyclohepta-1,3,6-trien-1-yl)-2H-tetrazole
SMILESCC1C=CC=C(c2nn[nH]n2)C=C1
InChIInChI=1S/C9H10N4/c1-7-3-2-4-8(6-5-7)9-10-12-13-11-9/h2-7H,1H3,(H,10,11,12,13)
InChIKeyAJZWHPXGWHAEAX-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.35
Rot. Bonds1

About 5-(5-methylcyclohepta-1,3,6-trien-1-yl)-2H-tetrazole

5-(5-methylcyclohepta-1,3,6-trien-1-yl)-2H-tetrazole (PubChem CID 143622116) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 5-(5-methylcyclohepta-1,3,6-trien-1-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(5-methylcyclohepta-1,3,6-trien-1-yl)-2H-tetrazole
PubChem CID143622116
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name5-(5-methylcyclohepta-1,3,6-trien-1-yl)-2H-tetrazole
SMILESCC1C=CC=C(c2nn[nH]n2)C=C1
InChIInChI=1S/C9H10N4/c1-7-3-2-4-8(6-5-7)9-10-12-13-11-9/h2-7H,1H3,(H,10,11,12,13)
InChIKeyAJZWHPXGWHAEAX-UHFFFAOYSA-N
XLogP1.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylcyclohepta-1,3,6-trien-1-yl)-2H-tetrazole?
The IUPAC name of 5-(5-methylcyclohepta-1,3,6-trien-1-yl)-2H-tetrazole (CID 143622116) is 5-(5-methylcyclohepta-1,3,6-trien-1-yl)-2H-tetrazole.
What is the SMILES notation for 5-(5-methylcyclohepta-1,3,6-trien-1-yl)-2H-tetrazole?
The canonical SMILES for 5-(5-methylcyclohepta-1,3,6-trien-1-yl)-2H-tetrazole is CC1C=CC=C(c2nn[nH]n2)C=C1.
What is the InChIKey of 5-(5-methylcyclohepta-1,3,6-trien-1-yl)-2H-tetrazole?
The InChIKey is AJZWHPXGWHAEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-7-3-2-4-8(6-5-7)9-10-12-13-11-9/h2-7H,1H3,(H,10,11,12,13).
What are the key properties of 5-(5-methylcyclohepta-1,3,6-trien-1-yl)-2H-tetrazole?
5-(5-methylcyclohepta-1,3,6-trien-1-yl)-2H-tetrazole has a molecular weight of 174.21 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylcyclohepta-1,3,6-trien-1-yl)-2H-tetrazole is sourced from PubChem (CID 143622116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).