N'-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,N'-dimethylethane-1,2-diamine

C16H28N8 — CID 142484688

IUPACN'-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1n[nH]c2nc(N3CCC(C)(CN)CC3)cnc12
InChIInChI=1S/C16H28N8/c1-16(11-17)4-7-24(8-5-16)12-10-19-13-14(20-12)21-22-15(13)23(3)9-6-18-2/h10,18H,4-9,11,17H2,1-3H3,(H,20,21,22)
InChIKeyXGDBOXSOMJFSMS-UHFFFAOYSA-N
MW332.46 g/mol
LogP0.57
Rot. Bonds6

About N'-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,N'-dimethylethane-1,2-diamine

N'-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 142484688) has the molecular formula C16H28N8 and a molecular weight of 332.46 g/mol. Its IUPAC name is N'-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,N'-dimethylethane-1,2-diamine
PubChem CID142484688
Molecular FormulaC16H28N8
Molecular Weight332.46 g/mol
Exact Mass332.24
IUPAC NameN'-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1n[nH]c2nc(N3CCC(C)(CN)CC3)cnc12
InChIInChI=1S/C16H28N8/c1-16(11-17)4-7-24(8-5-16)12-10-19-13-14(20-12)21-22-15(13)23(3)9-6-18-2/h10,18H,4-9,11,17H2,1-3H3,(H,20,21,22)
InChIKeyXGDBOXSOMJFSMS-UHFFFAOYSA-N
XLogP0.57
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N'-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,N'-dimethylethane-1,2-diamine (CID 142484688) is N'-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)c1n[nH]c2nc(N3CCC(C)(CN)CC3)cnc12.
What is the InChIKey of N'-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is XGDBOXSOMJFSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N8/c1-16(11-17)4-7-24(8-5-16)12-10-19-13-14(20-12)21-22-15(13)23(3)9-6-18-2/h10,18H,4-9,11,17H2,1-3H3,(H,20,21,22).
What are the key properties of N'-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,N'-dimethylethane-1,2-diamine?
N'-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 332.46 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 142484688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).