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

C12H18N6O2 — CID 90956787

IUPACN-hydroxy-3-[4-(methylamino)-2-propylpyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide
SMILESCCCc1nc(NC)n2ncc(CCC(=O)NO)c2n1
InChIInChI=1S/C12H18N6O2/c1-3-4-9-15-11-8(5-6-10(19)17-20)7-14-18(11)12(13-2)16-9/h7,20H,3-6H2,1-2H3,(H,17,19)(H,13,15,16)
InChIKeyZNSNXTVPBMXIHK-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.56
Rot. Bonds6

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

N-hydroxy-3-[4-(methylamino)-2-propylpyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide (PubChem CID 90956787) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is N-hydroxy-3-[4-(methylamino)-2-propylpyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-(methylamino)-2-propylpyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide
PubChem CID90956787
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC NameN-hydroxy-3-[4-(methylamino)-2-propylpyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide
SMILESCCCc1nc(NC)n2ncc(CCC(=O)NO)c2n1
InChIInChI=1S/C12H18N6O2/c1-3-4-9-15-11-8(5-6-10(19)17-20)7-14-18(11)12(13-2)16-9/h7,20H,3-6H2,1-2H3,(H,17,19)(H,13,15,16)
InChIKeyZNSNXTVPBMXIHK-UHFFFAOYSA-N
XLogP0.56
TPSA104.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.56
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
3-[2-Methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid
CID 10014295
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-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 10334319
N-hydroxy-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide
CID 10399844
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-[2-Methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propyl carbamate
CID 69869328

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-(methylamino)-2-propylpyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide?
The IUPAC name of N-hydroxy-3-[4-(methylamino)-2-propylpyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide (CID 90956787) is N-hydroxy-3-[4-(methylamino)-2-propylpyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[4-(methylamino)-2-propylpyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[4-(methylamino)-2-propylpyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide is CCCc1nc(NC)n2ncc(CCC(=O)NO)c2n1.
What is the InChIKey of N-hydroxy-3-[4-(methylamino)-2-propylpyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide?
The InChIKey is ZNSNXTVPBMXIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-3-4-9-15-11-8(5-6-10(19)17-20)7-14-18(11)12(13-2)16-9/h7,20H,3-6H2,1-2H3,(H,17,19)(H,13,15,16).
What are the key properties of N-hydroxy-3-[4-(methylamino)-2-propylpyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide?
N-hydroxy-3-[4-(methylamino)-2-propylpyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide has a molecular weight of 278.32 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-(methylamino)-2-propylpyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide is sourced from PubChem (CID 90956787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).