2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine

C8H12N8 — CID 114690875

IUPAC2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(-c2cnnn2C)n1
InChIInChI=1S/C8H12N8/c1-15(2)8-12-6(11-7(9)13-8)5-4-10-14-16(5)3/h4H,1-3H3,(H2,9,11,12,13)
InChIKeyBBEFBEOVYWNBJN-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.68
Rot. Bonds2

About 2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 114690875) has the molecular formula C8H12N8 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID114690875
Molecular FormulaC8H12N8
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(-c2cnnn2C)n1
InChIInChI=1S/C8H12N8/c1-15(2)8-12-6(11-7(9)13-8)5-4-10-14-16(5)3/h4H,1-3H3,(H2,9,11,12,13)
InChIKeyBBEFBEOVYWNBJN-UHFFFAOYSA-N
XLogP-0.68
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine (CID 114690875) is 2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(-c2cnnn2C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BBEFBEOVYWNBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N8/c1-15(2)8-12-6(11-7(9)13-8)5-4-10-14-16(5)3/h4H,1-3H3,(H2,9,11,12,13).
What are the key properties of 2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 220.24 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114690875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).