3-cyclopentyl-1-(1-methylpyrazol-4-yl)-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2,4-triazole

C16H24N6 — CID 167905383

IUPAC3-cyclopentyl-1-(1-methylpyrazol-4-yl)-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2,4-triazole
SMILESCN1CC[C@H](c2nc(C3CCCC3)nn2-c2cnn(C)c2)C1
InChIInChI=1S/C16H24N6/c1-20-8-7-13(10-20)16-18-15(12-5-3-4-6-12)19-22(16)14-9-17-21(2)11-14/h9,11-13H,3-8,10H2,1-2H3/t13-/m0/s1
InChIKeyINKHMNHMRJWXGD-ZDUSSCGKSA-N
MW300.41 g/mol
LogP2.08
Rot. Bonds3

About 3-cyclopentyl-1-(1-methylpyrazol-4-yl)-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2,4-triazole

3-cyclopentyl-1-(1-methylpyrazol-4-yl)-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2,4-triazole (PubChem CID 167905383) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-cyclopentyl-1-(1-methylpyrazol-4-yl)-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopentyl-1-(1-methylpyrazol-4-yl)-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2,4-triazole
PubChem CID167905383
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name3-cyclopentyl-1-(1-methylpyrazol-4-yl)-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2,4-triazole
SMILESCN1CC[C@H](c2nc(C3CCCC3)nn2-c2cnn(C)c2)C1
InChIInChI=1S/C16H24N6/c1-20-8-7-13(10-20)16-18-15(12-5-3-4-6-12)19-22(16)14-9-17-21(2)11-14/h9,11-13H,3-8,10H2,1-2H3/t13-/m0/s1
InChIKeyINKHMNHMRJWXGD-ZDUSSCGKSA-N
XLogP2.08
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-b]pyridazine
CID 146041307
1-methyl-3-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]indazole
CID 138383649
6-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 146039084
2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117157802
6-chloro-2-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine
CID 138379098
4-[2-(1-methylpyrazol-4-yl)-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]-1,3-thiazole
CID 138377621
3-cyclohexyl-1-(4-methoxyphenyl)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazole
CID 155965879
2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 154819491
1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazole
CID 138378434
5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole
CID 117259141
[2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
CID 117157372
[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110224446

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(1-methylpyrazol-4-yl)-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2,4-triazole?
The IUPAC name of 3-cyclopentyl-1-(1-methylpyrazol-4-yl)-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2,4-triazole (CID 167905383) is 3-cyclopentyl-1-(1-methylpyrazol-4-yl)-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2,4-triazole.
What is the SMILES notation for 3-cyclopentyl-1-(1-methylpyrazol-4-yl)-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2,4-triazole?
The canonical SMILES for 3-cyclopentyl-1-(1-methylpyrazol-4-yl)-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2,4-triazole is CN1CC[C@H](c2nc(C3CCCC3)nn2-c2cnn(C)c2)C1.
What is the InChIKey of 3-cyclopentyl-1-(1-methylpyrazol-4-yl)-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2,4-triazole?
The InChIKey is INKHMNHMRJWXGD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N6/c1-20-8-7-13(10-20)16-18-15(12-5-3-4-6-12)19-22(16)14-9-17-21(2)11-14/h9,11-13H,3-8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-cyclopentyl-1-(1-methylpyrazol-4-yl)-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2,4-triazole?
3-cyclopentyl-1-(1-methylpyrazol-4-yl)-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2,4-triazole has a molecular weight of 300.41 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(1-methylpyrazol-4-yl)-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2,4-triazole is sourced from PubChem (CID 167905383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).