5-butylnonan-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)tin

C19H31N3Sn — CID 141313271

IUPAC5-butylnonan-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cnn2ccncc12
InChIInChI=1S/C13H27.C6H4N3.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-8-9-4-3-7-5-6(1)9;/h4-12H2,1-3H3;2-5H;
InChIKeySZKSAVPTZXONFA-UHFFFAOYSA-N
MW420.19 g/mol
LogP4.79
Rot. Bonds11

About 5-butylnonan-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)tin

5-butylnonan-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)tin (PubChem CID 141313271) has the molecular formula C19H31N3Sn and a molecular weight of 420.19 g/mol. Its IUPAC name is 5-butylnonan-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)tin.

Molecular Properties

Compound Name5-butylnonan-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)tin
PubChem CID141313271
Molecular FormulaC19H31N3Sn
Molecular Weight420.19 g/mol
Exact Mass421.15
IUPAC Name5-butylnonan-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cnn2ccncc12
InChIInChI=1S/C13H27.C6H4N3.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-8-9-4-3-7-5-6(1)9;/h4-12H2,1-3H3;2-5H;
InChIKeySZKSAVPTZXONFA-UHFFFAOYSA-N
XLogP4.79
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.19
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)tin?
The IUPAC name of 5-butylnonan-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)tin (CID 141313271) is 5-butylnonan-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)tin.
What is the SMILES notation for 5-butylnonan-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)tin?
The canonical SMILES for 5-butylnonan-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)tin is CCCCC(CCCC)(CCCC)[Sn]c1cnn2ccncc12.
What is the InChIKey of 5-butylnonan-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)tin?
The InChIKey is SZKSAVPTZXONFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C6H4N3.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-8-9-4-3-7-5-6(1)9;/h4-12H2,1-3H3;2-5H;.
What are the key properties of 5-butylnonan-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)tin?
5-butylnonan-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)tin has a molecular weight of 420.19 g/mol, XLogP of 4.79, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)tin is sourced from PubChem (CID 141313271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).