2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide

C15H22F3N5O — CID 95302743

IUPAC2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CN[C@H]1CCc2ncnn2C1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H22F3N5O/c16-15(17,18)10-1-3-11(4-2-10)22-14(24)7-19-12-5-6-13-20-9-21-23(13)8-12/h9-12,19H,1-8H2,(H,22,24)/t10?,11?,12-/m0/s1
InChIKeyGVGHABXNPVVEPU-MCIGGMRASA-N
MW345.37 g/mol
LogP1.42
Rot. Bonds4

About 2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide

2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 95302743) has the molecular formula C15H22F3N5O and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID95302743
Molecular FormulaC15H22F3N5O
Molecular Weight345.37 g/mol
Exact Mass345.18
IUPAC Name2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CN[C@H]1CCc2ncnn2C1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H22F3N5O/c16-15(17,18)10-1-3-11(4-2-10)22-14(24)7-19-12-5-6-13-20-9-21-23(13)8-12/h9-12,19H,1-8H2,(H,22,24)/t10?,11?,12-/m0/s1
InChIKeyGVGHABXNPVVEPU-MCIGGMRASA-N
XLogP1.42
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide (CID 95302743) is 2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide is O=C(CN[C@H]1CCc2ncnn2C1)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is GVGHABXNPVVEPU-MCIGGMRASA-N. The full InChI is InChI=1S/C15H22F3N5O/c16-15(17,18)10-1-3-11(4-2-10)22-14(24)7-19-12-5-6-13-20-9-21-23(13)8-12/h9-12,19H,1-8H2,(H,22,24)/t10?,11?,12-/m0/s1.
What are the key properties of 2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 345.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 95302743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).