2-cyclohexyl-4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole

C18H25N5S — CID 71932592

IUPAC2-cyclohexyl-4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
SMILESc1sc(C2CCCCC2)nc1CN1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C18H25N5S/c1-2-4-14(5-3-1)18-19-15(12-24-18)10-22-8-9-23-16(11-22)20-21-17(23)13-6-7-13/h12-14H,1-11H2
InChIKeyBEMVGEBYDIQGMM-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.68
Rot. Bonds4

About 2-cyclohexyl-4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole

2-cyclohexyl-4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole (PubChem CID 71932592) has the molecular formula C18H25N5S and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-cyclohexyl-4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclohexyl-4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
PubChem CID71932592
Molecular FormulaC18H25N5S
Molecular Weight343.50 g/mol
Exact Mass343.18
IUPAC Name2-cyclohexyl-4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
SMILESc1sc(C2CCCCC2)nc1CN1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C18H25N5S/c1-2-4-14(5-3-1)18-19-15(12-24-18)10-22-8-9-23-16(11-22)20-21-17(23)13-6-7-13/h12-14H,1-11H2
InChIKeyBEMVGEBYDIQGMM-UHFFFAOYSA-N
XLogP3.68
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-cyclohexyl-4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole with MolForge

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Related Compounds

2-Cyclopentyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 56780661
2-[4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 72140097
2-cyclopentyl-4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
CID 72140303
trans-3-[4-ethyl-5-({4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl}methyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91777001
({4-[1-(cyclohexylmethyl)-3-methyl-1H-1,2,4-triazol-5-yl]-1,3-thiazol-2-yl}methyl)dimethylamine
CID 72842439
1-(2-ethyl-1,3-thiazol-4-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 71929248
1-(2-ethyl-1,3-thiazol-4-yl)-N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 96997107
1-(2-ethyl-1,3-thiazol-4-yl)-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 96997108
2-cyclopropyl-4-{[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl}-1,3-thiazole
CID 165431464
1-[(2-Cyclohexyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 45828941
4-[[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 45833677
3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 53545708

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-cyclohexyl-4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole (CID 71932592) is 2-cyclohexyl-4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclohexyl-4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-cyclohexyl-4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole is c1sc(C2CCCCC2)nc1CN1CCn2c(nnc2C2CC2)C1.
What is the InChIKey of 2-cyclohexyl-4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole?
The InChIKey is BEMVGEBYDIQGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5S/c1-2-4-14(5-3-1)18-19-15(12-24-18)10-22-8-9-23-16(11-22)20-21-17(23)13-6-7-13/h12-14H,1-11H2.
What are the key properties of 2-cyclohexyl-4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole?
2-cyclohexyl-4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole has a molecular weight of 343.50 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 71932592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).