3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C11H18N4 — CID 62585370

IUPAC3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1NCCn2c(C3CCCC3)nnc21
InChIInChI=1S/C11H18N4/c1-8-10-13-14-11(9-4-2-3-5-9)15(10)7-6-12-8/h8-9,12H,2-7H2,1H3
InChIKeySKGNSJFJRJUZCC-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.60
Rot. Bonds1

About 3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 62585370) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID62585370
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1NCCn2c(C3CCCC3)nnc21
InChIInChI=1S/C11H18N4/c1-8-10-13-14-11(9-4-2-3-5-9)15(10)7-6-12-8/h8-9,12H,2-7H2,1H3
InChIKeySKGNSJFJRJUZCC-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 52911275
3-(propan-2-yl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-amine
CID 50986550
3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 50987769
3-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 50987852
3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
3-cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585362
1-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethan-1-amine
CID 71695363
3,8-dimethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 60728056
3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 71755432
1-cyclopentyl-N-[(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]methanamine
CID 53613793
3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62694266

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 62585370) is 3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC1NCCn2c(C3CCCC3)nnc21.
What is the InChIKey of 3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is SKGNSJFJRJUZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-10-13-14-11(9-4-2-3-5-9)15(10)7-6-12-8/h8-9,12H,2-7H2,1H3.
What are the key properties of 3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 206.29 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 62585370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).