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

C6H7N7 — CID 22149943

IUPAC6-(1H-imidazol-2-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ncc[nH]2)n1
InChIInChI=1S/C6H7N7/c7-5-11-4(12-6(8)13-5)3-9-1-2-10-3/h1-2H,(H,9,10)(H4,7,8,11,12,13)
InChIKeyTZOJJUVMVVPHAW-UHFFFAOYSA-N
MW177.17 g/mol
LogP-0.57
Rot. Bonds1

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

6-(1H-imidazol-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 22149943) has the molecular formula C6H7N7 and a molecular weight of 177.17 g/mol. Its IUPAC name is 6-(1H-imidazol-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1H-imidazol-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID22149943
Molecular FormulaC6H7N7
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name6-(1H-imidazol-2-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ncc[nH]2)n1
InChIInChI=1S/C6H7N7/c7-5-11-4(12-6(8)13-5)3-9-1-2-10-3/h1-2H,(H,9,10)(H4,7,8,11,12,13)
InChIKeyTZOJJUVMVVPHAW-UHFFFAOYSA-N
XLogP-0.57
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1H-imidazol-2-yl)-1,3,5-triazine-2,4-diamine (CID 22149943) is 6-(1H-imidazol-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1H-imidazol-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1H-imidazol-2-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2ncc[nH]2)n1.
What is the InChIKey of 6-(1H-imidazol-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is TZOJJUVMVVPHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N7/c7-5-11-4(12-6(8)13-5)3-9-1-2-10-3/h1-2H,(H,9,10)(H4,7,8,11,12,13).
What are the key properties of 6-(1H-imidazol-2-yl)-1,3,5-triazine-2,4-diamine?
6-(1H-imidazol-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 177.17 g/mol, XLogP of -0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22149943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).