N-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]dodeca-2,4,6,8,10-pentaynamide

C23H13N5O — CID 59795599

IUPACN-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]dodeca-2,4,6,8,10-pentaynamide
SMILESCC#CC#CC#CC#CC#CC(=O)Nc1ccc(-c2nc3cc(C)[nH]n3n2)cc1
InChIInChI=1S/C23H13N5O/c1-3-4-5-6-7-8-9-10-11-12-22(29)24-20-15-13-19(14-16-20)23-25-21-17-18(2)26-28(21)27-23/h13-17,26H,1-2H3,(H,24,29)
InChIKeyRAPPWNDMLQIJHK-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.01
Rot. Bonds2

About N-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]dodeca-2,4,6,8,10-pentaynamide

N-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]dodeca-2,4,6,8,10-pentaynamide (PubChem CID 59795599) has the molecular formula C23H13N5O and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]dodeca-2,4,6,8,10-pentaynamide.

Molecular Properties

Compound NameN-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]dodeca-2,4,6,8,10-pentaynamide
PubChem CID59795599
Molecular FormulaC23H13N5O
Molecular Weight375.39 g/mol
Exact Mass375.11
IUPAC NameN-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]dodeca-2,4,6,8,10-pentaynamide
SMILESCC#CC#CC#CC#CC#CC(=O)Nc1ccc(-c2nc3cc(C)[nH]n3n2)cc1
InChIInChI=1S/C23H13N5O/c1-3-4-5-6-7-8-9-10-11-12-22(29)24-20-15-13-19(14-16-20)23-25-21-17-18(2)26-28(21)27-23/h13-17,26H,1-2H3,(H,24,29)
InChIKeyRAPPWNDMLQIJHK-UHFFFAOYSA-N
XLogP2.01
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]butanamide
CID 18731313
(4-dodecylphenyl) [2-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] sulfite
CID 59876939
N-[4-(tetrazol-1-yl)phenyl]but-2-ynamide
CID 126851029
sodium;N-(chloromethoxymethyl)-4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline;[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]methoxymethyl acetate;1-chloropyrrolidine-2,5-dione;acetate
CID 157364647
2-butyl-N-[4-(6-methoxy-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]octanamide
CID 58789650
N-[4-[6-tert-butyl-7-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]-3,5-dimethylbenzamide
CID 135990041
N-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
CID 2835770
N-(6-bromonaphthalen-2-yl)but-2-ynamide
CID 107987946
N-[4-(6-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-methyl-3-phosphorosopropanamide
CID 71216122
2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-sulfamoylbenzamide
CID 49424419
N-(3,4-dimethylphenyl)-5,7-dimethyl-2-(4-methylphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 20825639
N-[4-[5,7-dimethyl-4-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]propanamide
CID 10344915

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]dodeca-2,4,6,8,10-pentaynamide?
The IUPAC name of N-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]dodeca-2,4,6,8,10-pentaynamide (CID 59795599) is N-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]dodeca-2,4,6,8,10-pentaynamide.
What is the SMILES notation for N-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]dodeca-2,4,6,8,10-pentaynamide?
The canonical SMILES for N-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]dodeca-2,4,6,8,10-pentaynamide is CC#CC#CC#CC#CC#CC(=O)Nc1ccc(-c2nc3cc(C)[nH]n3n2)cc1.
What is the InChIKey of N-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]dodeca-2,4,6,8,10-pentaynamide?
The InChIKey is RAPPWNDMLQIJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13N5O/c1-3-4-5-6-7-8-9-10-11-12-22(29)24-20-15-13-19(14-16-20)23-25-21-17-18(2)26-28(21)27-23/h13-17,26H,1-2H3,(H,24,29).
What are the key properties of N-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]dodeca-2,4,6,8,10-pentaynamide?
N-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]dodeca-2,4,6,8,10-pentaynamide has a molecular weight of 375.39 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]dodeca-2,4,6,8,10-pentaynamide is sourced from PubChem (CID 59795599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).