benzene;2H-triazole

C14H15N3 — CID 174814163

IUPACbenzene;2H-triazole
SMILESc1ccccc1.c1ccccc1.c1cn[nH]n1
InChIInChI=1S/2C6H6.C2H3N3/c2*1-2-4-6-5-3-1;1-2-4-5-3-1/h2*1-6H;1-2H,(H,3,4,5)
InChIKeyDNVFTHTXXJOVBS-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.18
Rot. Bonds

About benzene;2H-triazole

benzene;2H-triazole (PubChem CID 174814163) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is benzene;2H-triazole.

Molecular Properties

Compound Namebenzene;2H-triazole
PubChem CID174814163
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Namebenzene;2H-triazole
SMILESc1ccccc1.c1ccccc1.c1cn[nH]n1
InChIInChI=1S/2C6H6.C2H3N3/c2*1-2-4-6-5-3-1;1-2-4-5-3-1/h2*1-6H;1-2H,(H,3,4,5)
InChIKeyDNVFTHTXXJOVBS-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;2H-triazole?
The IUPAC name of benzene;2H-triazole (CID 174814163) is benzene;2H-triazole.
What is the SMILES notation for benzene;2H-triazole?
The canonical SMILES for benzene;2H-triazole is c1ccccc1.c1ccccc1.c1cn[nH]n1.
What is the InChIKey of benzene;2H-triazole?
The InChIKey is DNVFTHTXXJOVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.C2H3N3/c2*1-2-4-6-5-3-1;1-2-4-5-3-1/h2*1-6H;1-2H,(H,3,4,5).
What are the key properties of benzene;2H-triazole?
benzene;2H-triazole has a molecular weight of 225.30 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2H-triazole is sourced from PubChem (CID 174814163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).