N'-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine

C13H24N8 — CID 63700678

IUPACN'-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)Cc1nc(NN)c2cnn(C)c2n1
InChIInChI=1S/C13H24N8/c1-19(2)6-5-7-20(3)9-11-16-12(18-14)10-8-15-21(4)13(10)17-11/h8H,5-7,9,14H2,1-4H3,(H,16,17,18)
InChIKeyGWDAHHKHOJIZDM-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.03
Rot. Bonds7

About N'-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63700678) has the molecular formula C13H24N8 and a molecular weight of 292.39 g/mol. Its IUPAC name is N'-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63700678
Molecular FormulaC13H24N8
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC NameN'-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)Cc1nc(NN)c2cnn(C)c2n1
InChIInChI=1S/C13H24N8/c1-19(2)6-5-7-20(3)9-11-16-12(18-14)10-8-15-21(4)13(10)17-11/h8H,5-7,9,14H2,1-4H3,(H,16,17,18)
InChIKeyGWDAHHKHOJIZDM-UHFFFAOYSA-N
XLogP0.03
TPSA88.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63700678) is N'-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)Cc1nc(NN)c2cnn(C)c2n1.
What is the InChIKey of N'-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is GWDAHHKHOJIZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N8/c1-19(2)6-5-7-20(3)9-11-16-12(18-14)10-8-15-21(4)13(10)17-11/h8H,5-7,9,14H2,1-4H3,(H,16,17,18).
What are the key properties of N'-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 292.39 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63700678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).