3,4,5-triiminocyclopentane-1,2-diamine

C5H9N5 — CID 91207664

IUPAC3,4,5-triiminocyclopentane-1,2-diamine
SMILES[H]N=C1/C(=N\[H])C(N)C(N)/C1=N/[H]
InChIInChI=1S/C5H9N5/c6-1-2(7)4(9)5(10)3(1)8/h1-2,8-10H,6-7H2/b8-3-,9-4-,10-5?
InChIKeyMJRJAGKMDVLIDR-PVOVDAGSSA-N
MW139.16 g/mol
LogP-1.29
Rot. Bonds

About 3,4,5-triiminocyclopentane-1,2-diamine

3,4,5-triiminocyclopentane-1,2-diamine (PubChem CID 91207664) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is 3,4,5-triiminocyclopentane-1,2-diamine.

Molecular Properties

Compound Name3,4,5-triiminocyclopentane-1,2-diamine
PubChem CID91207664
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC Name3,4,5-triiminocyclopentane-1,2-diamine
SMILES[H]N=C1/C(=N\[H])C(N)C(N)/C1=N/[H]
InChIInChI=1S/C5H9N5/c6-1-2(7)4(9)5(10)3(1)8/h1-2,8-10H,6-7H2/b8-3-,9-4-,10-5?
InChIKeyMJRJAGKMDVLIDR-PVOVDAGSSA-N
XLogP-1.29
TPSA123.59 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-1.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-triiminocyclopentane-1,2-diamine?
The IUPAC name of 3,4,5-triiminocyclopentane-1,2-diamine (CID 91207664) is 3,4,5-triiminocyclopentane-1,2-diamine.
What is the SMILES notation for 3,4,5-triiminocyclopentane-1,2-diamine?
The canonical SMILES for 3,4,5-triiminocyclopentane-1,2-diamine is [H]N=C1/C(=N\[H])C(N)C(N)/C1=N/[H].
What is the InChIKey of 3,4,5-triiminocyclopentane-1,2-diamine?
The InChIKey is MJRJAGKMDVLIDR-PVOVDAGSSA-N. The full InChI is InChI=1S/C5H9N5/c6-1-2(7)4(9)5(10)3(1)8/h1-2,8-10H,6-7H2/b8-3-,9-4-,10-5?.
What are the key properties of 3,4,5-triiminocyclopentane-1,2-diamine?
3,4,5-triiminocyclopentane-1,2-diamine has a molecular weight of 139.16 g/mol, XLogP of -1.29, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triiminocyclopentane-1,2-diamine is sourced from PubChem (CID 91207664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).