[2-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine

C10H18N4O — CID 107044442

IUPAC[2-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine
SMILESCn1cc(COC2CCCC2CN)nn1
InChIInChI=1S/C10H18N4O/c1-14-6-9(12-13-14)7-15-10-4-2-3-8(10)5-11/h6,8,10H,2-5,7,11H2,1H3
InChIKeyBPYACLZGLOPDBJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.46
Rot. Bonds4

About [2-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine

[2-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine (PubChem CID 107044442) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is [2-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine
PubChem CID107044442
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name[2-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine
SMILESCn1cc(COC2CCCC2CN)nn1
InChIInChI=1S/C10H18N4O/c1-14-6-9(12-13-14)7-15-10-4-2-3-8(10)5-11/h6,8,10H,2-5,7,11H2,1H3
InChIKeyBPYACLZGLOPDBJ-UHFFFAOYSA-N
XLogP0.46
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine?
The IUPAC name of [2-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine (CID 107044442) is [2-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine?
The canonical SMILES for [2-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine is Cn1cc(COC2CCCC2CN)nn1.
What is the InChIKey of [2-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine?
The InChIKey is BPYACLZGLOPDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-14-6-9(12-13-14)7-15-10-4-2-3-8(10)5-11/h6,8,10H,2-5,7,11H2,1H3.
What are the key properties of [2-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine?
[2-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine has a molecular weight of 210.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine is sourced from PubChem (CID 107044442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).