7-deuterio-1-propan-2-ylbenzotriazole

C9H11N3 — CID 10374745

IUPAC7-deuterio-1-propan-2-ylbenzotriazole
SMILES[2H]c1cccc2nnn(C(C)C)c12
InChIInChI=1S/C9H11N3/c1-7(2)12-9-6-4-3-5-8(9)10-11-12/h3-7H,1-2H3/i6D
InChIKeyBXIPDJNZPQCQNG-RAMDWTOOSA-N
MW162.21 g/mol
LogP2.01
Rot. Bonds1

About 7-deuterio-1-propan-2-ylbenzotriazole

7-deuterio-1-propan-2-ylbenzotriazole (PubChem CID 10374745) has the molecular formula C9H11N3 and a molecular weight of 162.21 g/mol. Its IUPAC name is 7-deuterio-1-propan-2-ylbenzotriazole.

Molecular Properties

Compound Name7-deuterio-1-propan-2-ylbenzotriazole
PubChem CID10374745
Molecular FormulaC9H11N3
Molecular Weight162.21 g/mol
Exact Mass162.10
IUPAC Name7-deuterio-1-propan-2-ylbenzotriazole
SMILES[2H]c1cccc2nnn(C(C)C)c12
InChIInChI=1S/C9H11N3/c1-7(2)12-9-6-4-3-5-8(9)10-11-12/h3-7H,1-2H3/i6D
InChIKeyBXIPDJNZPQCQNG-RAMDWTOOSA-N
XLogP2.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylbutan-2-yl)benzotriazole
CID 175055537
6-isocyano-1-propan-2-ylbenzotriazole
CID 140846011
1-(1,1,1-trifluoropentan-2-yl)benzotriazole
CID 70935119
N-[2-(benzotriazol-1-yl)propyl]-2-methylpropan-1-amine
CID 62448568
3-(benzotriazol-1-yl)butan-1-ol
CID 130123820
(3S)-3-(benzotriazol-1-yl)butan-1-ol
CID 102325183
1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole
CID 3819704
3,5-bis[1-(benzotriazol-1-yl)ethyl]-1,2,4-triazol-4-amine
CID 3767723
1-[(1S,2S)-2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole
CID 30741863
N-[2-(benzotriazol-1-yl)propyl]pentan-3-amine
CID 62561970
1-(benzotriazol-1-yl)-2-methyl-N-(1-phenylethyl)propan-1-amine
CID 3726579
2-(benzotriazol-1-yl)-3-methylbutanamide
CID 46840686

Frequently Asked Questions

What is the IUPAC name of 7-deuterio-1-propan-2-ylbenzotriazole?
The IUPAC name of 7-deuterio-1-propan-2-ylbenzotriazole (CID 10374745) is 7-deuterio-1-propan-2-ylbenzotriazole.
What is the SMILES notation for 7-deuterio-1-propan-2-ylbenzotriazole?
The canonical SMILES for 7-deuterio-1-propan-2-ylbenzotriazole is [2H]c1cccc2nnn(C(C)C)c12.
What is the InChIKey of 7-deuterio-1-propan-2-ylbenzotriazole?
The InChIKey is BXIPDJNZPQCQNG-RAMDWTOOSA-N. The full InChI is InChI=1S/C9H11N3/c1-7(2)12-9-6-4-3-5-8(9)10-11-12/h3-7H,1-2H3/i6D.
What are the key properties of 7-deuterio-1-propan-2-ylbenzotriazole?
7-deuterio-1-propan-2-ylbenzotriazole has a molecular weight of 162.21 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-deuterio-1-propan-2-ylbenzotriazole is sourced from PubChem (CID 10374745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).