6-(triazin-4-yl)hexane-1,1-diamine

C9H17N5 — CID 171904719

IUPAC6-(triazin-4-yl)hexane-1,1-diamine
SMILESNC(N)CCCCCc1ccnnn1
InChIInChI=1S/C9H17N5/c10-9(11)5-3-1-2-4-8-6-7-12-14-13-8/h6-7,9H,1-5,10-11H2
InChIKeyUPACERSNWOUGJH-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.22
Rot. Bonds6

About 6-(triazin-4-yl)hexane-1,1-diamine

6-(triazin-4-yl)hexane-1,1-diamine (PubChem CID 171904719) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 6-(triazin-4-yl)hexane-1,1-diamine.

Molecular Properties

Compound Name6-(triazin-4-yl)hexane-1,1-diamine
PubChem CID171904719
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name6-(triazin-4-yl)hexane-1,1-diamine
SMILESNC(N)CCCCCc1ccnnn1
InChIInChI=1S/C9H17N5/c10-9(11)5-3-1-2-4-8-6-7-12-14-13-8/h6-7,9H,1-5,10-11H2
InChIKeyUPACERSNWOUGJH-UHFFFAOYSA-N
XLogP0.22
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(triazin-4-yl)hexane-1,1-diamine?
The IUPAC name of 6-(triazin-4-yl)hexane-1,1-diamine (CID 171904719) is 6-(triazin-4-yl)hexane-1,1-diamine.
What is the SMILES notation for 6-(triazin-4-yl)hexane-1,1-diamine?
The canonical SMILES for 6-(triazin-4-yl)hexane-1,1-diamine is NC(N)CCCCCc1ccnnn1.
What is the InChIKey of 6-(triazin-4-yl)hexane-1,1-diamine?
The InChIKey is UPACERSNWOUGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c10-9(11)5-3-1-2-4-8-6-7-12-14-13-8/h6-7,9H,1-5,10-11H2.
What are the key properties of 6-(triazin-4-yl)hexane-1,1-diamine?
6-(triazin-4-yl)hexane-1,1-diamine has a molecular weight of 195.27 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(triazin-4-yl)hexane-1,1-diamine is sourced from PubChem (CID 171904719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).