1H-imidazole-2,5-diamine;triazine

C6H9N7 — CID 174499636

IUPAC1H-imidazole-2,5-diamine;triazine
SMILESNc1cnc(N)[nH]1.c1cnnnc1
InChIInChI=1S/C3H6N4.C3H3N3/c4-2-1-6-3(5)7-2;1-2-4-6-5-3-1/h1H,4H2,(H3,5,6,7);1-3H
InChIKeyAPFWLILXPDNYPR-UHFFFAOYSA-N
MW179.19 g/mol
LogP-0.55
Rot. Bonds

About 1H-imidazole-2,5-diamine;triazine

1H-imidazole-2,5-diamine;triazine (PubChem CID 174499636) has the molecular formula C6H9N7 and a molecular weight of 179.19 g/mol. Its IUPAC name is 1H-imidazole-2,5-diamine;triazine.

Molecular Properties

Compound Name1H-imidazole-2,5-diamine;triazine
PubChem CID174499636
Molecular FormulaC6H9N7
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name1H-imidazole-2,5-diamine;triazine
SMILESNc1cnc(N)[nH]1.c1cnnnc1
InChIInChI=1S/C3H6N4.C3H3N3/c4-2-1-6-3(5)7-2;1-2-4-6-5-3-1/h1H,4H2,(H3,5,6,7);1-3H
InChIKeyAPFWLILXPDNYPR-UHFFFAOYSA-N
XLogP-0.55
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole-2,5-diamine;triazine?
The IUPAC name of 1H-imidazole-2,5-diamine;triazine (CID 174499636) is 1H-imidazole-2,5-diamine;triazine.
What is the SMILES notation for 1H-imidazole-2,5-diamine;triazine?
The canonical SMILES for 1H-imidazole-2,5-diamine;triazine is Nc1cnc(N)[nH]1.c1cnnnc1.
What is the InChIKey of 1H-imidazole-2,5-diamine;triazine?
The InChIKey is APFWLILXPDNYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4.C3H3N3/c4-2-1-6-3(5)7-2;1-2-4-6-5-3-1/h1H,4H2,(H3,5,6,7);1-3H.
What are the key properties of 1H-imidazole-2,5-diamine;triazine?
1H-imidazole-2,5-diamine;triazine has a molecular weight of 179.19 g/mol, XLogP of -0.55, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole-2,5-diamine;triazine is sourced from PubChem (CID 174499636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).