N,N-diethyl-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide

C18H30N6O — CID 91227014

IUPACN,N-diethyl-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide
SMILESCCN(CC)C(=O)CCCCCCc1cnn2c(NC)nc(C)nc12
InChIInChI=1S/C18H30N6O/c1-5-23(6-2)16(25)12-10-8-7-9-11-15-13-20-24-17(15)21-14(3)22-18(24)19-4/h13H,5-12H2,1-4H3,(H,19,21,22)
InChIKeyZOOFPZGOGNOJHF-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.84
Rot. Bonds10

About N,N-diethyl-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide

N,N-diethyl-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide (PubChem CID 91227014) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is N,N-diethyl-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide.

Molecular Properties

Compound NameN,N-diethyl-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide
PubChem CID91227014
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC NameN,N-diethyl-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide
SMILESCCN(CC)C(=O)CCCCCCc1cnn2c(NC)nc(C)nc12
InChIInChI=1S/C18H30N6O/c1-5-23(6-2)16(25)12-10-8-7-9-11-15-13-20-24-17(15)21-14(3)22-18(24)19-4/h13H,5-12H2,1-4H3,(H,19,21,22)
InChIKeyZOOFPZGOGNOJHF-UHFFFAOYSA-N
XLogP2.84
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl)-2-cyclopentylacetamide
CID 91813789
N,N-dimethyl-7-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide
CID 91058059
N-hydroxy-3-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide
CID 9861266
N',N'-dimethyl-N-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]ethane-1,2-diamine
CID 10041646
8-(3-aminopropyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 10242583
N-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide
CID 10265557
N,2-dimethyl-8-(5-piperazin-1-ylpentyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 10358465
N-hydroxy-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide
CID 10399844
N,2-dimethyl-8-[5-(4-methylpiperazin-1-yl)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 10449392
8-[5-(diethylamino)pentyl]-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 11722590
N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide
CID 68748385
3-cyclopentyl-N-(3-isopropylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 68750022

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide?
The IUPAC name of N,N-diethyl-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide (CID 91227014) is N,N-diethyl-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide.
What is the SMILES notation for N,N-diethyl-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide?
The canonical SMILES for N,N-diethyl-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide is CCN(CC)C(=O)CCCCCCc1cnn2c(NC)nc(C)nc12.
What is the InChIKey of N,N-diethyl-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide?
The InChIKey is ZOOFPZGOGNOJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O/c1-5-23(6-2)16(25)12-10-8-7-9-11-15-13-20-24-17(15)21-14(3)22-18(24)19-4/h13H,5-12H2,1-4H3,(H,19,21,22).
What are the key properties of N,N-diethyl-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide?
N,N-diethyl-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide has a molecular weight of 346.48 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide is sourced from PubChem (CID 91227014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).