cyclopenta-1,3-diene-1,2,3-triamine

C5H9N3 — CID 18426458

IUPACcyclopenta-1,3-diene-1,2,3-triamine
SMILESNC1=CCC(N)=C1N
InChIInChI=1S/C5H9N3/c6-3-1-2-4(7)5(3)8/h1H,2,6-8H2
InChIKeyIXCLMMGXQXBSMT-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.64
Rot. Bonds

About cyclopenta-1,3-diene-1,2,3-triamine

cyclopenta-1,3-diene-1,2,3-triamine (PubChem CID 18426458) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is cyclopenta-1,3-diene-1,2,3-triamine.

Molecular Properties

Compound Namecyclopenta-1,3-diene-1,2,3-triamine
PubChem CID18426458
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Namecyclopenta-1,3-diene-1,2,3-triamine
SMILESNC1=CCC(N)=C1N
InChIInChI=1S/C5H9N3/c6-3-1-2-4(7)5(3)8/h1H,2,6-8H2
InChIKeyIXCLMMGXQXBSMT-UHFFFAOYSA-N
XLogP-0.64
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene-1,2,3-triamine?
The IUPAC name of cyclopenta-1,3-diene-1,2,3-triamine (CID 18426458) is cyclopenta-1,3-diene-1,2,3-triamine.
What is the SMILES notation for cyclopenta-1,3-diene-1,2,3-triamine?
The canonical SMILES for cyclopenta-1,3-diene-1,2,3-triamine is NC1=CCC(N)=C1N.
What is the InChIKey of cyclopenta-1,3-diene-1,2,3-triamine?
The InChIKey is IXCLMMGXQXBSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c6-3-1-2-4(7)5(3)8/h1H,2,6-8H2.
What are the key properties of cyclopenta-1,3-diene-1,2,3-triamine?
cyclopenta-1,3-diene-1,2,3-triamine has a molecular weight of 111.15 g/mol, XLogP of -0.64, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene-1,2,3-triamine is sourced from PubChem (CID 18426458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).