[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanol

C12H24N6O — CID 126831554

IUPAC[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanol
SMILESCN1CCN(Cc2nnnn2C(C)(C)C)C(CO)C1
InChIInChI=1S/C12H24N6O/c1-12(2,3)18-11(13-14-15-18)8-17-6-5-16(4)7-10(17)9-19/h10,19H,5-9H2,1-4H3
InChIKeySBSYILGCYFQWFG-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.46
Rot. Bonds3

About [1-[(1-tert-butyltetrazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanol

[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanol (PubChem CID 126831554) has the molecular formula C12H24N6O and a molecular weight of 268.36 g/mol. Its IUPAC name is [1-[(1-tert-butyltetrazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanol
PubChem CID126831554
Molecular FormulaC12H24N6O
Molecular Weight268.36 g/mol
Exact Mass268.20
IUPAC Name[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanol
SMILESCN1CCN(Cc2nnnn2C(C)(C)C)C(CO)C1
InChIInChI=1S/C12H24N6O/c1-12(2,3)18-11(13-14-15-18)8-17-6-5-16(4)7-10(17)9-19/h10,19H,5-9H2,1-4H3
InChIKeySBSYILGCYFQWFG-UHFFFAOYSA-N
XLogP-0.46
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-tert-butyltetrazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanol?
The IUPAC name of [1-[(1-tert-butyltetrazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanol (CID 126831554) is [1-[(1-tert-butyltetrazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanol.
What is the SMILES notation for [1-[(1-tert-butyltetrazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanol?
The canonical SMILES for [1-[(1-tert-butyltetrazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanol is CN1CCN(Cc2nnnn2C(C)(C)C)C(CO)C1.
What is the InChIKey of [1-[(1-tert-butyltetrazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanol?
The InChIKey is SBSYILGCYFQWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-12(2,3)18-11(13-14-15-18)8-17-6-5-16(4)7-10(17)9-19/h10,19H,5-9H2,1-4H3.
What are the key properties of [1-[(1-tert-butyltetrazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanol?
[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanol has a molecular weight of 268.36 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-tert-butyltetrazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanol is sourced from PubChem (CID 126831554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).