2-N-cyclohexa-2,4-dien-1-yl-1,3,5-triazine-2,4-diamine

C9H11N5 — CID 154183572

IUPAC2-N-cyclohexa-2,4-dien-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(NC2C=CC=CC2)n1
InChIInChI=1S/C9H11N5/c10-8-11-6-12-9(14-8)13-7-4-2-1-3-5-7/h1-4,6-7H,5H2,(H3,10,11,12,13,14)
InChIKeyPUNPAMHQTHKQCX-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.75
Rot. Bonds2

About 2-N-cyclohexa-2,4-dien-1-yl-1,3,5-triazine-2,4-diamine

2-N-cyclohexa-2,4-dien-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 154183572) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-N-cyclohexa-2,4-dien-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexa-2,4-dien-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID154183572
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name2-N-cyclohexa-2,4-dien-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(NC2C=CC=CC2)n1
InChIInChI=1S/C9H11N5/c10-8-11-6-12-9(14-8)13-7-4-2-1-3-5-7/h1-4,6-7H,5H2,(H3,10,11,12,13,14)
InChIKeyPUNPAMHQTHKQCX-UHFFFAOYSA-N
XLogP0.75
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexa-2,4-dien-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclohexa-2,4-dien-1-yl-1,3,5-triazine-2,4-diamine (CID 154183572) is 2-N-cyclohexa-2,4-dien-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexa-2,4-dien-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexa-2,4-dien-1-yl-1,3,5-triazine-2,4-diamine is Nc1ncnc(NC2C=CC=CC2)n1.
What is the InChIKey of 2-N-cyclohexa-2,4-dien-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is PUNPAMHQTHKQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-8-11-6-12-9(14-8)13-7-4-2-1-3-5-7/h1-4,6-7H,5H2,(H3,10,11,12,13,14).
What are the key properties of 2-N-cyclohexa-2,4-dien-1-yl-1,3,5-triazine-2,4-diamine?
2-N-cyclohexa-2,4-dien-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 189.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexa-2,4-dien-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 154183572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).