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

C10H18N4 — CID 130592139

IUPAC[1-[(2-methyltriazol-4-yl)methyl]cyclopentyl]methanamine
SMILESCn1ncc(CC2(CN)CCCC2)n1
InChIInChI=1S/C10H18N4/c1-14-12-7-9(13-14)6-10(8-11)4-2-3-5-10/h7H,2-6,8,11H2,1H3
InChIKeyAYBNVAMKIJAADM-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.88
Rot. Bonds3

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

[1-[(2-methyltriazol-4-yl)methyl]cyclopentyl]methanamine (PubChem CID 130592139) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is [1-[(2-methyltriazol-4-yl)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[(2-methyltriazol-4-yl)methyl]cyclopentyl]methanamine
PubChem CID130592139
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name[1-[(2-methyltriazol-4-yl)methyl]cyclopentyl]methanamine
SMILESCn1ncc(CC2(CN)CCCC2)n1
InChIInChI=1S/C10H18N4/c1-14-12-7-9(13-14)6-10(8-11)4-2-3-5-10/h7H,2-6,8,11H2,1H3
InChIKeyAYBNVAMKIJAADM-UHFFFAOYSA-N
XLogP0.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyltriazol-4-yl)methyl]cyclopentyl]methanamine?
The IUPAC name of [1-[(2-methyltriazol-4-yl)methyl]cyclopentyl]methanamine (CID 130592139) is [1-[(2-methyltriazol-4-yl)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[(2-methyltriazol-4-yl)methyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[(2-methyltriazol-4-yl)methyl]cyclopentyl]methanamine is Cn1ncc(CC2(CN)CCCC2)n1.
What is the InChIKey of [1-[(2-methyltriazol-4-yl)methyl]cyclopentyl]methanamine?
The InChIKey is AYBNVAMKIJAADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-14-12-7-9(13-14)6-10(8-11)4-2-3-5-10/h7H,2-6,8,11H2,1H3.
What are the key properties of [1-[(2-methyltriazol-4-yl)methyl]cyclopentyl]methanamine?
[1-[(2-methyltriazol-4-yl)methyl]cyclopentyl]methanamine has a molecular weight of 194.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyltriazol-4-yl)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 130592139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).