1-(3-methylcyclopentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine

C11H18N4 — CID 114552232

IUPAC1-(3-methylcyclopentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
SMILESCC1CCC(n2nnc3c2CCNC3)C1
InChIInChI=1S/C11H18N4/c1-8-2-3-9(6-8)15-11-4-5-12-7-10(11)13-14-15/h8-9,12H,2-7H2,1H3
InChIKeyLSRINIDNWYDCLZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.28
Rot. Bonds1

About 1-(3-methylcyclopentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine

1-(3-methylcyclopentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine (PubChem CID 114552232) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(3-methylcyclopentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3-methylcyclopentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
PubChem CID114552232
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-(3-methylcyclopentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
SMILESCC1CCC(n2nnc3c2CCNC3)C1
InChIInChI=1S/C11H18N4/c1-8-2-3-9(6-8)15-11-4-5-12-7-10(11)13-14-15/h8-9,12H,2-7H2,1H3
InChIKeyLSRINIDNWYDCLZ-UHFFFAOYSA-N
XLogP1.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclopentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The IUPAC name of 1-(3-methylcyclopentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine (CID 114552232) is 1-(3-methylcyclopentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine.
What is the SMILES notation for 1-(3-methylcyclopentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The canonical SMILES for 1-(3-methylcyclopentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine is CC1CCC(n2nnc3c2CCNC3)C1.
What is the InChIKey of 1-(3-methylcyclopentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The InChIKey is LSRINIDNWYDCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-2-3-9(6-8)15-11-4-5-12-7-10(11)13-14-15/h8-9,12H,2-7H2,1H3.
What are the key properties of 1-(3-methylcyclopentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
1-(3-methylcyclopentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine has a molecular weight of 206.29 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine is sourced from PubChem (CID 114552232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).