N,2-dimethyl-8-[5-(4-methylpiperazin-1-yl)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

C17H29N7 — CID 10449392

IUPACN,2-dimethyl-8-[5-(4-methylpiperazin-1-yl)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCNc1nc(C)nc2c(CCCCCN3CCN(C)CC3)cnn12
InChIInChI=1S/C17H29N7/c1-14-20-16-15(13-19-24(16)17(18-2)21-14)7-5-4-6-8-23-11-9-22(3)10-12-23/h13H,4-12H2,1-3H3,(H,18,20,21)
InChIKeyHQKFKBIUDSMNTC-UHFFFAOYSA-N
MW331.47 g/mol
LogP1.43
Rot. Bonds7

About N,2-dimethyl-8-[5-(4-methylpiperazin-1-yl)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

N,2-dimethyl-8-[5-(4-methylpiperazin-1-yl)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 10449392) has the molecular formula C17H29N7 and a molecular weight of 331.47 g/mol. Its IUPAC name is N,2-dimethyl-8-[5-(4-methylpiperazin-1-yl)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-8-[5-(4-methylpiperazin-1-yl)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID10449392
Molecular FormulaC17H29N7
Molecular Weight331.47 g/mol
Exact Mass331.25
IUPAC NameN,2-dimethyl-8-[5-(4-methylpiperazin-1-yl)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCNc1nc(C)nc2c(CCCCCN3CCN(C)CC3)cnn12
InChIInChI=1S/C17H29N7/c1-14-20-16-15(13-19-24(16)17(18-2)21-14)7-5-4-6-8-23-11-9-22(3)10-12-23/h13H,4-12H2,1-3H3,(H,18,20,21)
InChIKeyHQKFKBIUDSMNTC-UHFFFAOYSA-N
XLogP1.43
TPSA61.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,6-dimethyl-N-[1-(piperidin-1-ylmethyl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56894090
N,N-dimethyl-1-[4-methyl-5-[(3S)-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
CID 95862726
8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 68940652
2-Piperazin-1-yl-3-(2,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine
CID 89810595
2-Piperazin-1-yl-3-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine
CID 89810597
8-[5-[(3-chloropyrazin-2-yl)amino]pentyl]-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 91071545
N'-[3-(3-butyl-5-fluoro-5-methylcyclooctyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-piperidin-4-ylethane-1,2-diamine
CID 123822958
N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141267635
3-(Piperidin-4-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 174285978
N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine
CID 84729457
6-Piperidin-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 84809351
N-methyl-8-[5-(pyrimidin-2-ylamino)pentyl]-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 153726872

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-8-[5-(4-methylpiperazin-1-yl)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N,2-dimethyl-8-[5-(4-methylpiperazin-1-yl)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 10449392) is N,2-dimethyl-8-[5-(4-methylpiperazin-1-yl)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N,2-dimethyl-8-[5-(4-methylpiperazin-1-yl)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N,2-dimethyl-8-[5-(4-methylpiperazin-1-yl)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is CNc1nc(C)nc2c(CCCCCN3CCN(C)CC3)cnn12.
What is the InChIKey of N,2-dimethyl-8-[5-(4-methylpiperazin-1-yl)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is HQKFKBIUDSMNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N7/c1-14-20-16-15(13-19-24(16)17(18-2)21-14)7-5-4-6-8-23-11-9-22(3)10-12-23/h13H,4-12H2,1-3H3,(H,18,20,21).
What are the key properties of N,2-dimethyl-8-[5-(4-methylpiperazin-1-yl)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
N,2-dimethyl-8-[5-(4-methylpiperazin-1-yl)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 331.47 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-8-[5-(4-methylpiperazin-1-yl)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 10449392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).