3-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol

C9H17N5O — CID 106129131

IUPAC3-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCn1nnc(CNCC2CCC(O)C2)n1
InChIInChI=1S/C9H17N5O/c1-14-12-9(11-13-14)6-10-5-7-2-3-8(15)4-7/h7-8,10,15H,2-6H2,1H3
InChIKeyCKSQUIYARVLQEI-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.54
Rot. Bonds4

About 3-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol

3-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 106129131) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID106129131
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name3-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCn1nnc(CNCC2CCC(O)C2)n1
InChIInChI=1S/C9H17N5O/c1-14-12-9(11-13-14)6-10-5-7-2-3-8(15)4-7/h7-8,10,15H,2-6H2,1H3
InChIKeyCKSQUIYARVLQEI-UHFFFAOYSA-N
XLogP-0.54
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol (CID 106129131) is 3-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol is Cn1nnc(CNCC2CCC(O)C2)n1.
What is the InChIKey of 3-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is CKSQUIYARVLQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-14-12-9(11-13-14)6-10-5-7-2-3-8(15)4-7/h7-8,10,15H,2-6H2,1H3.
What are the key properties of 3-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol?
3-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 211.27 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106129131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).