N-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

C12H22N8 — CID 106043655

IUPACN-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNc1nc(NN)nc2[nH]ncc12
InChIInChI=1S/C12H22N8/c1-8(2)20(3)6-4-5-14-10-9-7-15-19-11(9)17-12(16-10)18-13/h7-8H,4-6,13H2,1-3H3,(H3,14,15,16,17,18,19)
InChIKeyGPJMBJDQXZIMAN-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.78
Rot. Bonds7

About N-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

N-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 106043655) has the molecular formula C12H22N8 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID106043655
Molecular FormulaC12H22N8
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNc1nc(NN)nc2[nH]ncc12
InChIInChI=1S/C12H22N8/c1-8(2)20(3)6-4-5-14-10-9-7-15-19-11(9)17-12(16-10)18-13/h7-8H,4-6,13H2,1-3H3,(H3,14,15,16,17,18,19)
InChIKeyGPJMBJDQXZIMAN-UHFFFAOYSA-N
XLogP0.78
TPSA107.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 106043655) is N-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(C)CCCNc1nc(NN)nc2[nH]ncc12.
What is the InChIKey of N-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is GPJMBJDQXZIMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N8/c1-8(2)20(3)6-4-5-14-10-9-7-15-19-11(9)17-12(16-10)18-13/h7-8H,4-6,13H2,1-3H3,(H3,14,15,16,17,18,19).
What are the key properties of N-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 278.36 g/mol, XLogP of 0.78, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 106043655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).