N-[4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]butanamide

C18H23N5O — CID 18731313

IUPACN-[4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2nc3cc(C(C)(C)C)[nH]n3n2)cc1
InChIInChI=1S/C18H23N5O/c1-5-6-16(24)19-13-9-7-12(8-10-13)17-20-15-11-14(18(2,3)4)21-23(15)22-17/h7-11,21H,5-6H2,1-4H3,(H,19,24)
InChIKeyLKTIYYRSYQLOKT-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.76
Rot. Bonds4

About N-[4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]butanamide

N-[4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]butanamide (PubChem CID 18731313) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]butanamide
PubChem CID18731313
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2nc3cc(C(C)(C)C)[nH]n3n2)cc1
InChIInChI=1S/C18H23N5O/c1-5-6-16(24)19-13-9-7-12(8-10-13)17-20-15-11-14(18(2,3)4)21-23(15)22-17/h7-11,21H,5-6H2,1-4H3,(H,19,24)
InChIKeyLKTIYYRSYQLOKT-UHFFFAOYSA-N
XLogP3.76
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dodecyl 4-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(4-dodecoxysulfinylbutanoylamino)anilino]-4-oxobutane-1-sulfinate
CID 18731236
2-butoxy-N-[2-[(2-butoxy-5-methylbenzoyl)amino]-4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-5-methylbenzamide
CID 54449661
(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-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
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
N-[2-[4-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl]-N-methylhexadecanamide
CID 58819813
3-[3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-4-chloro-N,N-dioctylbenzenesulfonamide
CID 20707496
N-[4-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-3-heptyldodecanamide
CID 23380002
N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[1-[4-(methanesulfonamido)phenoxy]tridecoxymethylamino]phenyl]-2-[4-(methanesulfonamido)phenoxy]tetradecanamide
CID 20731407
N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(octadecanoylamino)phenyl]octadecanamide
CID 58819512
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]butanamide
CID 50748313
N-[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]butanamide
CID 51173918

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]butanamide?
The IUPAC name of N-[4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]butanamide (CID 18731313) is N-[4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]butanamide.
What is the SMILES notation for N-[4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]butanamide?
The canonical SMILES for N-[4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]butanamide is CCCC(=O)Nc1ccc(-c2nc3cc(C(C)(C)C)[nH]n3n2)cc1.
What is the InChIKey of N-[4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]butanamide?
The InChIKey is LKTIYYRSYQLOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-5-6-16(24)19-13-9-7-12(8-10-13)17-20-15-11-14(18(2,3)4)21-23(15)22-17/h7-11,21H,5-6H2,1-4H3,(H,19,24).
What are the key properties of N-[4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]butanamide?
N-[4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]butanamide has a molecular weight of 325.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]butanamide is sourced from PubChem (CID 18731313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).