(1R)-1-(2H-benzotriazol-5-yl)ethanamine

C8H10N4 — CID 66637123

IUPAC(1R)-1-(2H-benzotriazol-5-yl)ethanamine
SMILESC[C@@H](N)c1ccc2n[nH]nc2c1
InChIInChI=1S/C8H10N4/c1-5(9)6-2-3-7-8(4-6)11-12-10-7/h2-5H,9H2,1H3,(H,10,11,12)/t5-/m1/s1
InChIKeyHXGUWTOXXYHXNR-RXMQYKEDSA-N
MW162.20 g/mol
LogP0.98
Rot. Bonds1

About (1R)-1-(2H-benzotriazol-5-yl)ethanamine

(1R)-1-(2H-benzotriazol-5-yl)ethanamine (PubChem CID 66637123) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is (1R)-1-(2H-benzotriazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2H-benzotriazol-5-yl)ethanamine
PubChem CID66637123
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name(1R)-1-(2H-benzotriazol-5-yl)ethanamine
SMILESC[C@@H](N)c1ccc2n[nH]nc2c1
InChIInChI=1S/C8H10N4/c1-5(9)6-2-3-7-8(4-6)11-12-10-7/h2-5H,9H2,1H3,(H,10,11,12)/t5-/m1/s1
InChIKeyHXGUWTOXXYHXNR-RXMQYKEDSA-N
XLogP0.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[(3Z,4Z)-3,4-di(ethylidene)cyclohexa-1,5-dien-1-yl]ethanamine
CID 137469972
5,6-di(propan-2-yl)-2H-benzotriazole
CID 118098380
S-[3-(2H-benzotriazol-5-yl)-2,3-dihydroxypropyl] ethanethioate
CID 170822119
1-(1,3-benzothiazol-6-yl)ethanamine;hydrochloride
CID 68842404
(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
CID 95992488
1-(3-methyl-2,1-benzoxazol-5-yl)ethanamine
CID 105436496
1-[3-(2-methylpropyl)-2,1-benzoxazol-6-yl]ethanamine
CID 105472813
1-(2-chloro-3-ethylquinolin-6-yl)ethanamine
CID 82023652
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
N-[(1R)-1-(2H-benzotriazol-5-yl)ethyl]-2-tert-butylquinoline-6-carboxamide
CID 24794649
1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanamine
CID 82493456
4-(1-aminoethyl)-2-(difluoromethyl)phenol
CID 84660904

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2H-benzotriazol-5-yl)ethanamine?
The IUPAC name of (1R)-1-(2H-benzotriazol-5-yl)ethanamine (CID 66637123) is (1R)-1-(2H-benzotriazol-5-yl)ethanamine.
What is the SMILES notation for (1R)-1-(2H-benzotriazol-5-yl)ethanamine?
The canonical SMILES for (1R)-1-(2H-benzotriazol-5-yl)ethanamine is C[C@@H](N)c1ccc2n[nH]nc2c1.
What is the InChIKey of (1R)-1-(2H-benzotriazol-5-yl)ethanamine?
The InChIKey is HXGUWTOXXYHXNR-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10N4/c1-5(9)6-2-3-7-8(4-6)11-12-10-7/h2-5H,9H2,1H3,(H,10,11,12)/t5-/m1/s1.
What are the key properties of (1R)-1-(2H-benzotriazol-5-yl)ethanamine?
(1R)-1-(2H-benzotriazol-5-yl)ethanamine has a molecular weight of 162.20 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2H-benzotriazol-5-yl)ethanamine is sourced from PubChem (CID 66637123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).