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

C9H11N5 — CID 138713630

IUPAC6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2=CCCC=C2)n1
InChIInChI=1S/C9H11N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h2,4-5H,1,3H2,(H4,10,11,12,13,14)
InChIKeyDDILMMCMEOORMR-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.77
Rot. Bonds1

About 6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine-2,4-diamine

6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 138713630) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID138713630
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2=CCCC=C2)n1
InChIInChI=1S/C9H11N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h2,4-5H,1,3H2,(H4,10,11,12,13,14)
InChIKeyDDILMMCMEOORMR-UHFFFAOYSA-N
XLogP0.77
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine-2,4-diamine (CID 138713630) is 6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C2=CCCC=C2)n1.
What is the InChIKey of 6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is DDILMMCMEOORMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h2,4-5H,1,3H2,(H4,10,11,12,13,14).
What are the key properties of 6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine-2,4-diamine?
6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 189.22 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 138713630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).