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

C12H20N4 — CID 107415743

IUPAC1-[(3-methylcyclopentyl)methyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
SMILESCC1CCC(Cn2nnc3c2CCNC3)C1
InChIInChI=1S/C12H20N4/c1-9-2-3-10(6-9)8-16-12-4-5-13-7-11(12)14-15-16/h9-10,13H,2-8H2,1H3
InChIKeyIYSCXZZMFTZVCL-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.36
Rot. Bonds2

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

1-[(3-methylcyclopentyl)methyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine (PubChem CID 107415743) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[(3-methylcyclopentyl)methyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[(3-methylcyclopentyl)methyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
PubChem CID107415743
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-[(3-methylcyclopentyl)methyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
SMILESCC1CCC(Cn2nnc3c2CCNC3)C1
InChIInChI=1S/C12H20N4/c1-9-2-3-10(6-9)8-16-12-4-5-13-7-11(12)14-15-16/h9-10,13H,2-8H2,1H3
InChIKeyIYSCXZZMFTZVCL-UHFFFAOYSA-N
XLogP1.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclopentyl)methyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The IUPAC name of 1-[(3-methylcyclopentyl)methyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine (CID 107415743) is 1-[(3-methylcyclopentyl)methyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine.
What is the SMILES notation for 1-[(3-methylcyclopentyl)methyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The canonical SMILES for 1-[(3-methylcyclopentyl)methyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine is CC1CCC(Cn2nnc3c2CCNC3)C1.
What is the InChIKey of 1-[(3-methylcyclopentyl)methyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The InChIKey is IYSCXZZMFTZVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9-2-3-10(6-9)8-16-12-4-5-13-7-11(12)14-15-16/h9-10,13H,2-8H2,1H3.
What are the key properties of 1-[(3-methylcyclopentyl)methyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
1-[(3-methylcyclopentyl)methyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine has a molecular weight of 220.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclopentyl)methyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine is sourced from PubChem (CID 107415743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).