N-hydroxy-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide

C10H14N6O2 — CID 10399844

IUPACN-hydroxy-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide
SMILESCNc1nc(C)nc2c(CCC(=O)NO)cnn12
InChIInChI=1S/C10H14N6O2/c1-6-13-9-7(3-4-8(17)15-18)5-12-16(9)10(11-2)14-6/h5,18H,3-4H2,1-2H3,(H,15,17)(H,11,13,14)
InChIKeyNYCZLBUAKUZYNU-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.09
Rot. Bonds4

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

N-hydroxy-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide (PubChem CID 10399844) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-hydroxy-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide
PubChem CID10399844
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC NameN-hydroxy-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide
SMILESCNc1nc(C)nc2c(CCC(=O)NO)cnn12
InChIInChI=1S/C10H14N6O2/c1-6-13-9-7(3-4-8(17)15-18)5-12-16(9)10(11-2)14-6/h5,18H,3-4H2,1-2H3,(H,15,17)(H,11,13,14)
InChIKeyNYCZLBUAKUZYNU-UHFFFAOYSA-N
XLogP-0.09
TPSA104.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-7-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide
CID 91058059
3-[4-(Methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid
CID 91456682
N-hydroxy-3-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide
CID 9861266
N-(3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl)-4,4,4-trifluorobutanamide
CID 92073348
3-[2-Methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid
CID 10014295
3-[2-Methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-1-ol
CID 10104917
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
8-(5-aminopentyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 69866874
N-methyl-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide
CID 69867698
5-[2-Methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanoic acid
CID 69867915
3-[4-(Methylamino)-2-propylpyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid
CID 90801411

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide?
The IUPAC name of N-hydroxy-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide (CID 10399844) is N-hydroxy-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide is CNc1nc(C)nc2c(CCC(=O)NO)cnn12.
What is the InChIKey of N-hydroxy-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide?
The InChIKey is NYCZLBUAKUZYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-6-13-9-7(3-4-8(17)15-18)5-12-16(9)10(11-2)14-6/h5,18H,3-4H2,1-2H3,(H,15,17)(H,11,13,14).
What are the key properties of N-hydroxy-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide?
N-hydroxy-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide has a molecular weight of 250.26 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide is sourced from PubChem (CID 10399844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).