3-(benzotriazol-1-yl)-2-methylpropan-1-amine

C10H14N4 — CID 62448363

IUPAC3-(benzotriazol-1-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cn1nnc2ccccc21
InChIInChI=1S/C10H14N4/c1-8(6-11)7-14-10-5-3-2-4-9(10)12-13-14/h2-5,8H,6-7,11H2,1H3
InChIKeyNUOBKKCMHGANHW-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.03
Rot. Bonds3

About 3-(benzotriazol-1-yl)-2-methylpropan-1-amine

3-(benzotriazol-1-yl)-2-methylpropan-1-amine (PubChem CID 62448363) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)-2-methylpropan-1-amine
PubChem CID62448363
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name3-(benzotriazol-1-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cn1nnc2ccccc21
InChIInChI=1S/C10H14N4/c1-8(6-11)7-14-10-5-3-2-4-9(10)12-13-14/h2-5,8H,6-7,11H2,1H3
InChIKeyNUOBKKCMHGANHW-UHFFFAOYSA-N
XLogP1.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide
CID 139088366
diethyl 2-(benzotriazol-1-ylmethyl)propanedioate
CID 10039908
3-(benzotriazol-1-yl)propan-1-amine
CID 4220188
benzotriazol-1-ylmethyl-dimethyl-propan-2-ylazanium
CID 135373003
1-(2-methoxy-2-phenylethyl)benzotriazole
CID 3740185
1-(propan-2-ylsulfonylmethyl)benzotriazole
CID 5096339
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide
CID 16671536
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
methyl 2-acetamido-3-(benzotriazol-1-yl)propanoate
CID 65441830
3-(benzotriazol-1-yl)propane-1,1-diol
CID 66686231
1-(2-methylsulfanylethyl)benzotriazole
CID 131018915
2-(benzotriazol-1-yl)-1-(2-chlorophenyl)ethanol
CID 56837220

Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(benzotriazol-1-yl)-2-methylpropan-1-amine (CID 62448363) is 3-(benzotriazol-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(benzotriazol-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(benzotriazol-1-yl)-2-methylpropan-1-amine is CC(CN)Cn1nnc2ccccc21.
What is the InChIKey of 3-(benzotriazol-1-yl)-2-methylpropan-1-amine?
The InChIKey is NUOBKKCMHGANHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-8(6-11)7-14-10-5-3-2-4-9(10)12-13-14/h2-5,8H,6-7,11H2,1H3.
What are the key properties of 3-(benzotriazol-1-yl)-2-methylpropan-1-amine?
3-(benzotriazol-1-yl)-2-methylpropan-1-amine has a molecular weight of 190.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 62448363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).