N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C14H19N7O — CID 56905162

IUPACN-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCCn1cnnc1CNc1cc(C)nc2ccnn12
InChIInChI=1S/C14H19N7O/c1-11-8-13(21-12(18-11)4-5-17-21)15-9-14-19-16-10-20(14)6-3-7-22-2/h4-5,8,10,15H,3,6-7,9H2,1-2H3
InChIKeyGMPVYYVQXIWETL-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.28
Rot. Bonds7

About N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56905162) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56905162
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC NameN-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCCn1cnnc1CNc1cc(C)nc2ccnn12
InChIInChI=1S/C14H19N7O/c1-11-8-13(21-12(18-11)4-5-17-21)15-9-14-19-16-10-20(14)6-3-7-22-2/h4-5,8,10,15H,3,6-7,9H2,1-2H3
InChIKeyGMPVYYVQXIWETL-UHFFFAOYSA-N
XLogP1.28
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1480446
WO2023001061, Example 26
CID 166594744
N-Hexyl-5-methylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366052
N-Heptyl-5-methylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366053
5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 12366069
2-[(5-Methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 44317771
6-N-[(2-ethylpyrazol-3-yl)methyl]-8,9-dimethylpurine-2,6-diamine
CID 52422233
n-(2-(1h-Pyrazol-1-yl)ethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53532814
5-propyl-N-(2-pyrazol-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53532944
N-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56899168
N-[1-(4-cyclopentyl-4H-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56899469
5-propyl-N-[2-(1H-pyrazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56904909

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56905162) is N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is COCCCn1cnnc1CNc1cc(C)nc2ccnn12.
What is the InChIKey of N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GMPVYYVQXIWETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O/c1-11-8-13(21-12(18-11)4-5-17-21)15-9-14-19-16-10-20(14)6-3-7-22-2/h4-5,8,10,15H,3,6-7,9H2,1-2H3.
What are the key properties of N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 301.35 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56905162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).