3,4,5-triimino-2-propylcyclopenten-1-amine

C8H12N4 — CID 59755484

IUPAC3,4,5-triimino-2-propylcyclopenten-1-amine
SMILES[H]/N=c1/c(N)c(CCC)c(=N/[H])/c1=N\[H]
InChIInChI=1S/C8H12N4/c1-2-3-4-5(9)7(11)8(12)6(4)10/h9,11-12H,2-3,10H2,1H3/b9-5-,11-7+,12-8-
InChIKeyAQQFHTLRUZXXMI-LVXRFWPJSA-N
MW164.21 g/mol
LogP-0.46
Rot. Bonds2

About 3,4,5-triimino-2-propylcyclopenten-1-amine

3,4,5-triimino-2-propylcyclopenten-1-amine (PubChem CID 59755484) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 3,4,5-triimino-2-propylcyclopenten-1-amine.

Molecular Properties

Compound Name3,4,5-triimino-2-propylcyclopenten-1-amine
PubChem CID59755484
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name3,4,5-triimino-2-propylcyclopenten-1-amine
SMILES[H]/N=c1/c(N)c(CCC)c(=N/[H])/c1=N\[H]
InChIInChI=1S/C8H12N4/c1-2-3-4-5(9)7(11)8(12)6(4)10/h9,11-12H,2-3,10H2,1H3/b9-5-,11-7+,12-8-
InChIKeyAQQFHTLRUZXXMI-LVXRFWPJSA-N
XLogP-0.46
TPSA97.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-triimino-2-propylcyclopenten-1-amine?
The IUPAC name of 3,4,5-triimino-2-propylcyclopenten-1-amine (CID 59755484) is 3,4,5-triimino-2-propylcyclopenten-1-amine.
What is the SMILES notation for 3,4,5-triimino-2-propylcyclopenten-1-amine?
The canonical SMILES for 3,4,5-triimino-2-propylcyclopenten-1-amine is [H]/N=c1/c(N)c(CCC)c(=N/[H])/c1=N\[H].
What is the InChIKey of 3,4,5-triimino-2-propylcyclopenten-1-amine?
The InChIKey is AQQFHTLRUZXXMI-LVXRFWPJSA-N. The full InChI is InChI=1S/C8H12N4/c1-2-3-4-5(9)7(11)8(12)6(4)10/h9,11-12H,2-3,10H2,1H3/b9-5-,11-7+,12-8-.
What are the key properties of 3,4,5-triimino-2-propylcyclopenten-1-amine?
3,4,5-triimino-2-propylcyclopenten-1-amine has a molecular weight of 164.21 g/mol, XLogP of -0.46, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triimino-2-propylcyclopenten-1-amine is sourced from PubChem (CID 59755484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).