1,2-diaza-4-azanidacyclopenta-2,5-diene;tributylstannanylium

C14H29N3Sn — CID 6097359

IUPAC1,2-diaza-4-azanidacyclopenta-2,5-diene;tributylstannanylium
SMILESCCCC[Sn+](CCCC)CCCC.c1nnc[n-]1
InChIInChI=1S/3C4H9.C2H2N3.Sn/c3*1-3-4-2;1-3-2-5-4-1;/h3*1,3-4H2,2H3;1-2H;/q;;;-1;+1
InChIKeyDGYNCAVWPOMYSI-UHFFFAOYSA-N
MW358.12 g/mol
LogP4.32
Rot. Bonds9

About 1,2-diaza-4-azanidacyclopenta-2,5-diene;tributylstannanylium

1,2-diaza-4-azanidacyclopenta-2,5-diene;tributylstannanylium (PubChem CID 6097359) has the molecular formula C14H29N3Sn and a molecular weight of 358.12 g/mol. Its IUPAC name is 1,2-diaza-4-azanidacyclopenta-2,5-diene;tributylstannanylium.

Molecular Properties

Compound Name1,2-diaza-4-azanidacyclopenta-2,5-diene;tributylstannanylium
PubChem CID6097359
Molecular FormulaC14H29N3Sn
Molecular Weight358.12 g/mol
Exact Mass359.14
IUPAC Name1,2-diaza-4-azanidacyclopenta-2,5-diene;tributylstannanylium
SMILESCCCC[Sn+](CCCC)CCCC.c1nnc[n-]1
InChIInChI=1S/3C4H9.C2H2N3.Sn/c3*1-3-4-2;1-3-2-5-4-1;/h3*1,3-4H2,2H3;1-2H;/q;;;-1;+1
InChIKeyDGYNCAVWPOMYSI-UHFFFAOYSA-N
XLogP4.32
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.12
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-diaza-4-azanidacyclopenta-2,5-diene;tributylstannanylium?
The IUPAC name of 1,2-diaza-4-azanidacyclopenta-2,5-diene;tributylstannanylium (CID 6097359) is 1,2-diaza-4-azanidacyclopenta-2,5-diene;tributylstannanylium.
What is the SMILES notation for 1,2-diaza-4-azanidacyclopenta-2,5-diene;tributylstannanylium?
The canonical SMILES for 1,2-diaza-4-azanidacyclopenta-2,5-diene;tributylstannanylium is CCCC[Sn+](CCCC)CCCC.c1nnc[n-]1.
What is the InChIKey of 1,2-diaza-4-azanidacyclopenta-2,5-diene;tributylstannanylium?
The InChIKey is DGYNCAVWPOMYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C2H2N3.Sn/c3*1-3-4-2;1-3-2-5-4-1;/h3*1,3-4H2,2H3;1-2H;/q;;;-1;+1.
What are the key properties of 1,2-diaza-4-azanidacyclopenta-2,5-diene;tributylstannanylium?
1,2-diaza-4-azanidacyclopenta-2,5-diene;tributylstannanylium has a molecular weight of 358.12 g/mol, XLogP of 4.32, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diaza-4-azanidacyclopenta-2,5-diene;tributylstannanylium is sourced from PubChem (CID 6097359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).