2,4-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperazine

C14H20N6 — CID 71877550

IUPAC2,4-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperazine
SMILESCC1CN(C)CCN1Cc1nnnn1-c1ccccc1
InChIInChI=1S/C14H20N6/c1-12-10-18(2)8-9-19(12)11-14-15-16-17-20(14)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyKGUIVPCSHUVXJB-UHFFFAOYSA-N
MW272.36 g/mol
LogP0.80
Rot. Bonds3

About 2,4-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperazine

2,4-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperazine (PubChem CID 71877550) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name2,4-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperazine
PubChem CID71877550
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name2,4-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperazine
SMILESCC1CN(C)CCN1Cc1nnnn1-c1ccccc1
InChIInChI=1S/C14H20N6/c1-12-10-18(2)8-9-19(12)11-14-15-16-17-20(14)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyKGUIVPCSHUVXJB-UHFFFAOYSA-N
XLogP0.80
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperazine?
The IUPAC name of 2,4-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperazine (CID 71877550) is 2,4-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperazine.
What is the SMILES notation for 2,4-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperazine?
The canonical SMILES for 2,4-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperazine is CC1CN(C)CCN1Cc1nnnn1-c1ccccc1.
What is the InChIKey of 2,4-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperazine?
The InChIKey is KGUIVPCSHUVXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-12-10-18(2)8-9-19(12)11-14-15-16-17-20(14)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 2,4-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperazine?
2,4-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperazine has a molecular weight of 272.36 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperazine is sourced from PubChem (CID 71877550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).