1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexan-1-ol

C9H17N5O — CID 65110841

IUPAC1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexan-1-ol
SMILESCn1nnnc1NCC1(O)CCCCC1
InChIInChI=1S/C9H17N5O/c1-14-8(11-12-13-14)10-7-9(15)5-3-2-4-6-9/h15H,2-7H2,1H3,(H,10,11,13)
InChIKeyXUCSCSGBJOXCCI-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.32
Rot. Bonds3

About 1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexan-1-ol

1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65110841) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65110841
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexan-1-ol
SMILESCn1nnnc1NCC1(O)CCCCC1
InChIInChI=1S/C9H17N5O/c1-14-8(11-12-13-14)10-7-9(15)5-3-2-4-6-9/h15H,2-7H2,1H3,(H,10,11,13)
InChIKeyXUCSCSGBJOXCCI-UHFFFAOYSA-N
XLogP0.32
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexan-1-ol (CID 65110841) is 1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexan-1-ol is Cn1nnnc1NCC1(O)CCCCC1.
What is the InChIKey of 1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is XUCSCSGBJOXCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-14-8(11-12-13-14)10-7-9(15)5-3-2-4-6-9/h15H,2-7H2,1H3,(H,10,11,13).
What are the key properties of 1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexan-1-ol?
1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 211.27 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65110841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).