1,2-dinitrosopentane-1,1,5-triamine

C5H13N5O2 — CID 23082438

IUPAC1,2-dinitrosopentane-1,1,5-triamine
SMILESNCCCC(N=O)C(N)(N)N=O
InChIInChI=1S/C5H13N5O2/c6-3-1-2-4(9-11)5(7,8)10-12/h4H,1-3,6-8H2
InChIKeyMKHNNELSMCOBCG-UHFFFAOYSA-N
MW175.19 g/mol
LogP-0.80
Rot. Bonds6

About 1,2-dinitrosopentane-1,1,5-triamine

1,2-dinitrosopentane-1,1,5-triamine (PubChem CID 23082438) has the molecular formula C5H13N5O2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1,2-dinitrosopentane-1,1,5-triamine.

Molecular Properties

Compound Name1,2-dinitrosopentane-1,1,5-triamine
PubChem CID23082438
Molecular FormulaC5H13N5O2
Molecular Weight175.19 g/mol
Exact Mass175.11
IUPAC Name1,2-dinitrosopentane-1,1,5-triamine
SMILESNCCCC(N=O)C(N)(N)N=O
InChIInChI=1S/C5H13N5O2/c6-3-1-2-4(9-11)5(7,8)10-12/h4H,1-3,6-8H2
InChIKeyMKHNNELSMCOBCG-UHFFFAOYSA-N
XLogP-0.80
TPSA136.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dinitrosopentane-1,1,5-triamine?
The IUPAC name of 1,2-dinitrosopentane-1,1,5-triamine (CID 23082438) is 1,2-dinitrosopentane-1,1,5-triamine.
What is the SMILES notation for 1,2-dinitrosopentane-1,1,5-triamine?
The canonical SMILES for 1,2-dinitrosopentane-1,1,5-triamine is NCCCC(N=O)C(N)(N)N=O.
What is the InChIKey of 1,2-dinitrosopentane-1,1,5-triamine?
The InChIKey is MKHNNELSMCOBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N5O2/c6-3-1-2-4(9-11)5(7,8)10-12/h4H,1-3,6-8H2.
What are the key properties of 1,2-dinitrosopentane-1,1,5-triamine?
1,2-dinitrosopentane-1,1,5-triamine has a molecular weight of 175.19 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dinitrosopentane-1,1,5-triamine is sourced from PubChem (CID 23082438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).