6-(3H-benzimidazol-5-ylamino)-1H-1,3,5-triazine-2,4-dione

C10H8N6O2 — CID 146541479

IUPAC6-(3H-benzimidazol-5-ylamino)-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(Nc2ccc3nc[nH]c3c2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H8N6O2/c17-9-14-8(15-10(18)16-9)13-5-1-2-6-7(3-5)12-4-11-6/h1-4H,(H,11,12)(H3,13,14,15,16,17,18)
InChIKeyQDXNYIZRPNXHOI-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.08
Rot. Bonds2

About 6-(3H-benzimidazol-5-ylamino)-1H-1,3,5-triazine-2,4-dione

6-(3H-benzimidazol-5-ylamino)-1H-1,3,5-triazine-2,4-dione (PubChem CID 146541479) has the molecular formula C10H8N6O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 6-(3H-benzimidazol-5-ylamino)-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-(3H-benzimidazol-5-ylamino)-1H-1,3,5-triazine-2,4-dione
PubChem CID146541479
Molecular FormulaC10H8N6O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name6-(3H-benzimidazol-5-ylamino)-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(Nc2ccc3nc[nH]c3c2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H8N6O2/c17-9-14-8(15-10(18)16-9)13-5-1-2-6-7(3-5)12-4-11-6/h1-4H,(H,11,12)(H3,13,14,15,16,17,18)
InChIKeyQDXNYIZRPNXHOI-UHFFFAOYSA-N
XLogP0.08
TPSA119.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid
CID 146541131
[4-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid
CID 24833865
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
3-(3H-benzimidazol-5-ylamino)-4-[(4-hydroxyphenyl)methylamino]cyclobut-3-ene-1,2-dione
CID 87697335
3-(3H-benzimidazol-5-ylamino)-4-[(3-oxo-4H-quinoxalin-6-yl)methylamino]cyclobut-3-ene-1,2-dione
CID 59807490
4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine
CID 115265409
N-benzyl-3H-benzimidazol-5-amine
CID 53441479
1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
N-(3H-benzimidazol-5-yl)-2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 143767401
4-[[[2-(3H-benzimidazol-5-ylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzenesulfonamide
CID 87745096
1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea
CID 108885789

Frequently Asked Questions

What is the IUPAC name of 6-(3H-benzimidazol-5-ylamino)-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-(3H-benzimidazol-5-ylamino)-1H-1,3,5-triazine-2,4-dione (CID 146541479) is 6-(3H-benzimidazol-5-ylamino)-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-(3H-benzimidazol-5-ylamino)-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-(3H-benzimidazol-5-ylamino)-1H-1,3,5-triazine-2,4-dione is O=c1nc(Nc2ccc3nc[nH]c3c2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(3H-benzimidazol-5-ylamino)-1H-1,3,5-triazine-2,4-dione?
The InChIKey is QDXNYIZRPNXHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O2/c17-9-14-8(15-10(18)16-9)13-5-1-2-6-7(3-5)12-4-11-6/h1-4H,(H,11,12)(H3,13,14,15,16,17,18).
What are the key properties of 6-(3H-benzimidazol-5-ylamino)-1H-1,3,5-triazine-2,4-dione?
6-(3H-benzimidazol-5-ylamino)-1H-1,3,5-triazine-2,4-dione has a molecular weight of 244.21 g/mol, XLogP of 0.08, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3H-benzimidazol-5-ylamino)-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 146541479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).