6-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine-2,4-diamine

C11H15N5 — CID 141069955

IUPAC6-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCC1=CC=CCC1(C)c1nc(N)nc(N)n1
InChIInChI=1S/C11H15N5/c1-7-5-3-4-6-11(7,2)8-14-9(12)16-10(13)15-8/h3-5H,6H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyQMGKVHPPSMRZBG-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.20
Rot. Bonds1

About 6-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine-2,4-diamine

6-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 141069955) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 6-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID141069955
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name6-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCC1=CC=CCC1(C)c1nc(N)nc(N)n1
InChIInChI=1S/C11H15N5/c1-7-5-3-4-6-11(7,2)8-14-9(12)16-10(13)15-8/h3-5H,6H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyQMGKVHPPSMRZBG-UHFFFAOYSA-N
XLogP1.20
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 139256418
CID 139256418
6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3,5-triazine-2,4-diamine
CID 129131915
6-Cyclohexa-1,5-dien-1-yl-1,3,5-triazine-2,4-diamine
CID 138713630
6-[(6E)-octa-1,6-dien-4-yl]-1,3,5-triazine-2,4-diamine
CID 140132934
2-(1,4-Dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine
CID 140971764
4-iodo-6-[(2Z,4Z,7Z)-1-methyl-6-methylidenecycloocta-2,4,7-trien-1-yl]-1,3,5-triazin-2-amine
CID 142857744
2-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-6-[(3E,5Z)-2-methylocta-1,3,5-trien-3-yl]-1,3,5-triazine
CID 145283888
6-Cyclohexa-2,4-dien-1-yl-1,3,5-triazine-2,4-diamine
CID 154136200
6-[(4E,6Z)-3-methylideneocta-4,6-dien-4-yl]-1,3,5-triazine-2,4-diamine
CID 170076286
6-Cyclohex-3-enyl-1,3,5-triazine-2,4-diamine
CID 4259369
6-[(1S)-cyclohex-3-en-1-yl]-1,3,5-triazine-2,4-diamine
CID 40549367
6-[(1R)-cyclohex-3-en-1-yl]-1,3,5-triazine-2,4-diamine
CID 40549372

Frequently Asked Questions

What is the IUPAC name of 6-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine-2,4-diamine (CID 141069955) is 6-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine-2,4-diamine is CC1=CC=CCC1(C)c1nc(N)nc(N)n1.
What is the InChIKey of 6-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QMGKVHPPSMRZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-7-5-3-4-6-11(7,2)8-14-9(12)16-10(13)15-8/h3-5H,6H2,1-2H3,(H4,12,13,14,15,16).
What are the key properties of 6-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine-2,4-diamine?
6-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 217.28 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 141069955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).