N-[1-(5-phenyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine

C19H21N5 — CID 167923422

IUPACN-[1-(5-phenyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine
SMILESCC(NC1CCc2n[nH]nc2C1)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C19H21N5/c1-13(21-16-8-10-18-19(11-16)23-24-22-18)17-9-7-15(12-20-17)14-5-3-2-4-6-14/h2-7,9,12-13,16,21H,8,10-11H2,1H3,(H,22,23,24)
InChIKeyIWSYDBLRYPUUAG-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.07
Rot. Bonds4

About N-[1-(5-phenyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine

N-[1-(5-phenyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine (PubChem CID 167923422) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[1-(5-phenyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine.

Molecular Properties

Compound NameN-[1-(5-phenyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine
PubChem CID167923422
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC NameN-[1-(5-phenyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine
SMILESCC(NC1CCc2n[nH]nc2C1)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C19H21N5/c1-13(21-16-8-10-18-19(11-16)23-24-22-18)17-9-7-15(12-20-17)14-5-3-2-4-6-14/h2-7,9,12-13,16,21H,8,10-11H2,1H3,(H,22,23,24)
InChIKeyIWSYDBLRYPUUAG-UHFFFAOYSA-N
XLogP3.07
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-N-[(1S)-1-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]phenyl]ethyl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide
CID 170962370
5-phenyl-2-propan-2-ylpyridine
CID 18340622
N-[1-(4-phenylphenyl)ethyl]cyclopentanamine
CID 43078880
2-[(1S,2S,4R)-2-[(2-methylpropan-2-yl)oxy]-4-[1-(5-phenyl-2-pyridinyl)ethylamino]cyclobutyl]acetic acid
CID 166433320
N-[1-(5-phenyl-2-pyridinyl)ethyl]-1,2-oxazol-5-amine
CID 70133741
N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
CID 29052683
N-[(1S)-1-pyridin-2-ylethyl]cycloheptanamine
CID 28647798
N-(1-pyridin-2-ylethyl)cyclooctanamine
CID 43178142
N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 81401330
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81351587
(3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 71637667
N-[1-(5-fluoro-2-pyridinyl)ethyl]thian-4-amine
CID 115889252

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-phenyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine?
The IUPAC name of N-[1-(5-phenyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine (CID 167923422) is N-[1-(5-phenyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine.
What is the SMILES notation for N-[1-(5-phenyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine?
The canonical SMILES for N-[1-(5-phenyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine is CC(NC1CCc2n[nH]nc2C1)c1ccc(-c2ccccc2)cn1.
What is the InChIKey of N-[1-(5-phenyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine?
The InChIKey is IWSYDBLRYPUUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-13(21-16-8-10-18-19(11-16)23-24-22-18)17-9-7-15(12-20-17)14-5-3-2-4-6-14/h2-7,9,12-13,16,21H,8,10-11H2,1H3,(H,22,23,24).
What are the key properties of N-[1-(5-phenyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine?
N-[1-(5-phenyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine has a molecular weight of 319.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-phenyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine is sourced from PubChem (CID 167923422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).