1-(3-amino-5-hydroxy-1,2,4-benzotriazin-7-yl)-3-pyrazin-2-ylurea

C12H10N8O2 — CID 136658805

IUPAC1-(3-amino-5-hydroxy-1,2,4-benzotriazin-7-yl)-3-pyrazin-2-ylurea
SMILESNc1nnc2cc(NC(=O)Nc3cnccn3)cc(O)c2n1
InChIInChI=1S/C12H10N8O2/c13-11-18-10-7(19-20-11)3-6(4-8(10)21)16-12(22)17-9-5-14-1-2-15-9/h1-5,21H,(H2,13,18,20)(H2,15,16,17,22)
InChIKeyIMTBCVOAYRBWMD-UHFFFAOYSA-N
MW298.27 g/mol
LogP0.75
Rot. Bonds2

About 1-(3-amino-5-hydroxy-1,2,4-benzotriazin-7-yl)-3-pyrazin-2-ylurea

1-(3-amino-5-hydroxy-1,2,4-benzotriazin-7-yl)-3-pyrazin-2-ylurea (PubChem CID 136658805) has the molecular formula C12H10N8O2 and a molecular weight of 298.27 g/mol. Its IUPAC name is 1-(3-amino-5-hydroxy-1,2,4-benzotriazin-7-yl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(3-amino-5-hydroxy-1,2,4-benzotriazin-7-yl)-3-pyrazin-2-ylurea
PubChem CID136658805
Molecular FormulaC12H10N8O2
Molecular Weight298.27 g/mol
Exact Mass298.09
IUPAC Name1-(3-amino-5-hydroxy-1,2,4-benzotriazin-7-yl)-3-pyrazin-2-ylurea
SMILESNc1nnc2cc(NC(=O)Nc3cnccn3)cc(O)c2n1
InChIInChI=1S/C12H10N8O2/c13-11-18-10-7(19-20-11)3-6(4-8(10)21)16-12(22)17-9-5-14-1-2-15-9/h1-5,21H,(H2,13,18,20)(H2,15,16,17,22)
InChIKeyIMTBCVOAYRBWMD-UHFFFAOYSA-N
XLogP0.75
TPSA151.83 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-hydroxy-4-(pyrazin-2-ylcarbamoylamino)benzoic acid
CID 110492352
1-(3-bromophenyl)-3-pyrazin-2-ylurea
CID 110492436
1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea
CID 108893898
1-[3-(3-aminophenyl)-1,2,4-triazin-6-yl]-3-pyrazin-2-ylurea
CID 69312505
1-(2-chlorophenyl)-3-pyrazin-2-ylurea
CID 5078272
1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea
CID 110492610
1-(4-butylphenyl)-3-pyrazin-2-ylurea
CID 17263249
3,5-dihydroxy-N-pyrazin-2-ylbenzamide
CID 107703696
1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea
CID 970790
3-hydroxy-4-methyl-N-pyrazin-2-ylbenzamide
CID 43616193
1-(4-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea
CID 110492464
2-(diethylamino)ethyl 4-(pyrazin-2-ylcarbamoylamino)benzoate
CID 110492639

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-hydroxy-1,2,4-benzotriazin-7-yl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(3-amino-5-hydroxy-1,2,4-benzotriazin-7-yl)-3-pyrazin-2-ylurea (CID 136658805) is 1-(3-amino-5-hydroxy-1,2,4-benzotriazin-7-yl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(3-amino-5-hydroxy-1,2,4-benzotriazin-7-yl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(3-amino-5-hydroxy-1,2,4-benzotriazin-7-yl)-3-pyrazin-2-ylurea is Nc1nnc2cc(NC(=O)Nc3cnccn3)cc(O)c2n1.
What is the InChIKey of 1-(3-amino-5-hydroxy-1,2,4-benzotriazin-7-yl)-3-pyrazin-2-ylurea?
The InChIKey is IMTBCVOAYRBWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N8O2/c13-11-18-10-7(19-20-11)3-6(4-8(10)21)16-12(22)17-9-5-14-1-2-15-9/h1-5,21H,(H2,13,18,20)(H2,15,16,17,22).
What are the key properties of 1-(3-amino-5-hydroxy-1,2,4-benzotriazin-7-yl)-3-pyrazin-2-ylurea?
1-(3-amino-5-hydroxy-1,2,4-benzotriazin-7-yl)-3-pyrazin-2-ylurea has a molecular weight of 298.27 g/mol, XLogP of 0.75, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-hydroxy-1,2,4-benzotriazin-7-yl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 136658805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).