1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea

C13H21F3N6O — CID 75377534

IUPAC1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea
SMILESCc1nc2n(n1)CCCC2NC(=O)NCCN(C)CC(F)(F)F
InChIInChI=1S/C13H21F3N6O/c1-9-18-11-10(4-3-6-22(11)20-9)19-12(23)17-5-7-21(2)8-13(14,15)16/h10H,3-8H2,1-2H3,(H2,17,19,23)
InChIKeyPRDWQCCXYAVGGS-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.21
Rot. Bonds5

About 1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea

1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea (PubChem CID 75377534) has the molecular formula C13H21F3N6O and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea.

Molecular Properties

Compound Name1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea
PubChem CID75377534
Molecular FormulaC13H21F3N6O
Molecular Weight334.35 g/mol
Exact Mass334.17
IUPAC Name1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea
SMILESCc1nc2n(n1)CCCC2NC(=O)NCCN(C)CC(F)(F)F
InChIInChI=1S/C13H21F3N6O/c1-9-18-11-10(4-3-6-22(11)20-9)19-12(23)17-5-7-21(2)8-13(14,15)16/h10H,3-8H2,1-2H3,(H2,17,19,23)
InChIKeyPRDWQCCXYAVGGS-UHFFFAOYSA-N
XLogP1.21
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea with MolForge

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Related Compounds

US10894794, Comp. Code No. GLP-140
CID 96445883
2-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 71695325
3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 46997513
4-(diethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 72153018
N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 75443339
pyrrolidin-1-yl-(3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 118740465
N-propan-2-yl-3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 118740466
N-cyclohexyl-3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 118740469
N-propan-2-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 118740588
N-cyclohexyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide
CID 118740589
1-[2-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 118740590
N-propan-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 118740591

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea?
The IUPAC name of 1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea (CID 75377534) is 1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea.
What is the SMILES notation for 1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea?
The canonical SMILES for 1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea is Cc1nc2n(n1)CCCC2NC(=O)NCCN(C)CC(F)(F)F.
What is the InChIKey of 1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea?
The InChIKey is PRDWQCCXYAVGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N6O/c1-9-18-11-10(4-3-6-22(11)20-9)19-12(23)17-5-7-21(2)8-13(14,15)16/h10H,3-8H2,1-2H3,(H2,17,19,23).
What are the key properties of 1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea?
1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea has a molecular weight of 334.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea is sourced from PubChem (CID 75377534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).