N-(naphthalen-1-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine

C15H16N4 — CID 64545959

IUPACN-(naphthalen-1-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESc1ccc2c(CNCCc3ncn[nH]3)cccc2c1
InChIInChI=1S/C15H16N4/c1-2-7-14-12(4-1)5-3-6-13(14)10-16-9-8-15-17-11-18-19-15/h1-7,11,16H,8-10H2,(H,17,18,19)
InChIKeyHIFBUTKEJFQGMW-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.29
Rot. Bonds5

About N-(naphthalen-1-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine

N-(naphthalen-1-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 64545959) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID64545959
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC NameN-(naphthalen-1-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESc1ccc2c(CNCCc3ncn[nH]3)cccc2c1
InChIInChI=1S/C15H16N4/c1-2-7-14-12(4-1)5-3-6-13(14)10-16-9-8-15-17-11-18-19-15/h1-7,11,16H,8-10H2,(H,17,18,19)
InChIKeyHIFBUTKEJFQGMW-UHFFFAOYSA-N
XLogP2.29
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]aniline
CID 66417495
N-[(2,3-dimethylphenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64547915
2-chloro-6-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenol
CID 112568744
2-ethoxy-6-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenol
CID 64548140
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64546169
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
3-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenol
CID 64545789
N-[(3-methylphenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64545977
N-[(3-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64547939
N-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64546351
N-[(4-chloro-2-methylphenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 91660690
N-[(2-chloro-4-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103793293

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of N-(naphthalen-1-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine (CID 64545959) is N-(naphthalen-1-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine is c1ccc2c(CNCCc3ncn[nH]3)cccc2c1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is HIFBUTKEJFQGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-7-14-12(4-1)5-3-6-13(14)10-16-9-8-15-17-11-18-19-15/h1-7,11,16H,8-10H2,(H,17,18,19).
What are the key properties of N-(naphthalen-1-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine?
N-(naphthalen-1-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 252.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 64545959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).