1-(1-cyclohexyltetrazol-5-yl)-4-methylpiperazine

C12H22N6 — CID 21029526

IUPAC1-(1-cyclohexyltetrazol-5-yl)-4-methylpiperazine
SMILESCN1CCN(c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C12H22N6/c1-16-7-9-17(10-8-16)12-13-14-15-18(12)11-5-3-2-4-6-11/h11H,2-10H2,1H3
InChIKeyKWTHXHKLNHXZSB-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.93
Rot. Bonds2

About 1-(1-cyclohexyltetrazol-5-yl)-4-methylpiperazine

1-(1-cyclohexyltetrazol-5-yl)-4-methylpiperazine (PubChem CID 21029526) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-(1-cyclohexyltetrazol-5-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(1-cyclohexyltetrazol-5-yl)-4-methylpiperazine
PubChem CID21029526
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name1-(1-cyclohexyltetrazol-5-yl)-4-methylpiperazine
SMILESCN1CCN(c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C12H22N6/c1-16-7-9-17(10-8-16)12-13-14-15-18(12)11-5-3-2-4-6-11/h11H,2-10H2,1H3
InChIKeyKWTHXHKLNHXZSB-UHFFFAOYSA-N
XLogP0.93
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyltetrazol-5-yl)-4-methylpiperazine?
The IUPAC name of 1-(1-cyclohexyltetrazol-5-yl)-4-methylpiperazine (CID 21029526) is 1-(1-cyclohexyltetrazol-5-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(1-cyclohexyltetrazol-5-yl)-4-methylpiperazine?
The canonical SMILES for 1-(1-cyclohexyltetrazol-5-yl)-4-methylpiperazine is CN1CCN(c2nnnn2C2CCCCC2)CC1.
What is the InChIKey of 1-(1-cyclohexyltetrazol-5-yl)-4-methylpiperazine?
The InChIKey is KWTHXHKLNHXZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-16-7-9-17(10-8-16)12-13-14-15-18(12)11-5-3-2-4-6-11/h11H,2-10H2,1H3.
What are the key properties of 1-(1-cyclohexyltetrazol-5-yl)-4-methylpiperazine?
1-(1-cyclohexyltetrazol-5-yl)-4-methylpiperazine has a molecular weight of 250.35 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyltetrazol-5-yl)-4-methylpiperazine is sourced from PubChem (CID 21029526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).