N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride

C21H24ClN5O — CID 120567006

IUPACN-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
SMILESCl.NCc1nc(-c2ccc(NC(=O)CC3CCCc4ccccc43)cc2)n[nH]1
InChIInChI=1S/C21H23N5O.ClH/c22-13-19-24-21(26-25-19)15-8-10-17(11-9-15)23-20(27)12-16-6-3-5-14-4-1-2-7-18(14)16;/h1-2,4,7-11,16H,3,5-6,12-13,22H2,(H,23,27)(H,24,25,26);1H
InChIKeyTYYGWZXWWXBGAL-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.80
Rot. Bonds5

About N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride

N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride (PubChem CID 120567006) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
PubChem CID120567006
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC NameN-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
SMILESCl.NCc1nc(-c2ccc(NC(=O)CC3CCCc4ccccc43)cc2)n[nH]1
InChIInChI=1S/C21H23N5O.ClH/c22-13-19-24-21(26-25-19)15-8-10-17(11-9-15)23-20(27)12-16-6-3-5-14-4-1-2-7-18(14)16;/h1-2,4,7-11,16H,3,5-6,12-13,22H2,(H,23,27)(H,24,25,26);1H
InChIKeyTYYGWZXWWXBGAL-UHFFFAOYSA-N
XLogP3.80
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-cycloheptylacetamide;hydrochloride
CID 120566812
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-cyclopentylpropanamide;hydrochloride
CID 120566582
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-cyclobutylpropanamide;hydrochloride
CID 120566270
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 122081209
N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119515915
N-[4-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]anilino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120566792
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 120566495
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-methylpentanamide;hydrochloride
CID 120566330
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95616896
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3,3,3-trifluoropropanamide
CID 120566433
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]oxane-2-carboxamide
CID 120566581
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-butoxyacetamide;hydrochloride
CID 120566810

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride (CID 120567006) is N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride is Cl.NCc1nc(-c2ccc(NC(=O)CC3CCCc4ccccc43)cc2)n[nH]1.
What is the InChIKey of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride?
The InChIKey is TYYGWZXWWXBGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O.ClH/c22-13-19-24-21(26-25-19)15-8-10-17(11-9-15)23-20(27)12-16-6-3-5-14-4-1-2-7-18(14)16;/h1-2,4,7-11,16H,3,5-6,12-13,22H2,(H,23,27)(H,24,25,26);1H.
What are the key properties of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride?
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride has a molecular weight of 397.91 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 120567006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).