6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine

C7H9N7 — CID 57192284

IUPAC6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1ncc(-c2nc(N)nc(N)n2)[nH]1
InChIInChI=1S/C7H9N7/c1-3-10-2-4(11-3)5-12-6(8)14-7(9)13-5/h2H,1H3,(H,10,11)(H4,8,9,12,13,14)
InChIKeyPNTXOHSHDWRGIT-UHFFFAOYSA-N
MW191.20 g/mol
LogP-0.27
Rot. Bonds1

About 6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine

6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 57192284) has the molecular formula C7H9N7 and a molecular weight of 191.20 g/mol. Its IUPAC name is 6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine
PubChem CID57192284
Molecular FormulaC7H9N7
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1ncc(-c2nc(N)nc(N)n2)[nH]1
InChIInChI=1S/C7H9N7/c1-3-10-2-4(11-3)5-12-6(8)14-7(9)13-5/h2H,1H3,(H,10,11)(H4,8,9,12,13,14)
InChIKeyPNTXOHSHDWRGIT-UHFFFAOYSA-N
XLogP-0.27
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine (CID 57192284) is 6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine is Cc1ncc(-c2nc(N)nc(N)n2)[nH]1.
What is the InChIKey of 6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is PNTXOHSHDWRGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7/c1-3-10-2-4(11-3)5-12-6(8)14-7(9)13-5/h2H,1H3,(H,10,11)(H4,8,9,12,13,14).
What are the key properties of 6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine?
6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 191.20 g/mol, XLogP of -0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 57192284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).