2H-benzotriazole;triazol-1-amine

C8H9N7 — CID 174496646

IUPAC2H-benzotriazole;triazol-1-amine
SMILESNn1ccnn1.c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.C2H4N4/c1-2-4-6-5(3-1)7-9-8-6;3-6-2-1-4-5-6/h1-4H,(H,7,8,9);1-2H,3H2
InChIKeyWYIWOIOAEKBRTD-UHFFFAOYSA-N
MW203.21 g/mol
LogP-0.05
Rot. Bonds

About 2H-benzotriazole;triazol-1-amine

2H-benzotriazole;triazol-1-amine (PubChem CID 174496646) has the molecular formula C8H9N7 and a molecular weight of 203.21 g/mol. Its IUPAC name is 2H-benzotriazole;triazol-1-amine.

Molecular Properties

Compound Name2H-benzotriazole;triazol-1-amine
PubChem CID174496646
Molecular FormulaC8H9N7
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name2H-benzotriazole;triazol-1-amine
SMILESNn1ccnn1.c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.C2H4N4/c1-2-4-6-5(3-1)7-9-8-6;3-6-2-1-4-5-6/h1-4H,(H,7,8,9);1-2H,3H2
InChIKeyWYIWOIOAEKBRTD-UHFFFAOYSA-N
XLogP-0.05
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2H-benzotriazole;dihydrofluoride
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2H-benzotriazole;praseodymium
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2H-benzotriazole;iron
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2H-cyclodeca[d]triazole
CID 135280907
2H-benzotriazole;1,1'-biphenyl
CID 161096180
benzene-1,4-diol;2H-benzotriazole
CID 160549478
azane;2H-benzotriazole;phosphorous acid
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CID 174734278
CID 174734278
benzenethiol;2H-benzotriazole
CID 158272752
2H-benzotriazole;carbanide;uranium(4+);hexafluorophosphate
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Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazole;triazol-1-amine?
The IUPAC name of 2H-benzotriazole;triazol-1-amine (CID 174496646) is 2H-benzotriazole;triazol-1-amine.
What is the SMILES notation for 2H-benzotriazole;triazol-1-amine?
The canonical SMILES for 2H-benzotriazole;triazol-1-amine is Nn1ccnn1.c1ccc2n[nH]nc2c1.
What is the InChIKey of 2H-benzotriazole;triazol-1-amine?
The InChIKey is WYIWOIOAEKBRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.C2H4N4/c1-2-4-6-5(3-1)7-9-8-6;3-6-2-1-4-5-6/h1-4H,(H,7,8,9);1-2H,3H2.
What are the key properties of 2H-benzotriazole;triazol-1-amine?
2H-benzotriazole;triazol-1-amine has a molecular weight of 203.21 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazole;triazol-1-amine is sourced from PubChem (CID 174496646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).