2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline

C11H14N4 — CID 61360611

IUPAC2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline
SMILESCc1ccccc1NCCc1ncn[nH]1
InChIInChI=1S/C11H14N4/c1-9-4-2-3-5-10(9)12-7-6-11-13-8-14-15-11/h2-5,8,12H,6-7H2,1H3,(H,13,14,15)
InChIKeyBCRBBBUCNGIYAY-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.77
Rot. Bonds4

About 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline

2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline (PubChem CID 61360611) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline
PubChem CID61360611
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline
SMILESCc1ccccc1NCCc1ncn[nH]1
InChIInChI=1S/C11H14N4/c1-9-4-2-3-5-10(9)12-7-6-11-13-8-14-15-11/h2-5,8,12H,6-7H2,1H3,(H,13,14,15)
InChIKeyBCRBBBUCNGIYAY-UHFFFAOYSA-N
XLogP1.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 64529869
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine
CID 64530668
2-methyl-5-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 64532051
3-methoxy-1-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzene-1,2-diamine
CID 113392706
2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline
CID 114402115
2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103769288
N-[(2,3-dimethylphenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64547915
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64546169
2-amino-N,N-dimethyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
CID 107116378
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-2-(trifluoromethyl)aniline
CID 64532428
3-methyl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]isoquinoline-5,8-diamine
CID 102713442
5-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
CID 106660544

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline?
The IUPAC name of 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline (CID 61360611) is 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline?
The canonical SMILES for 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline is Cc1ccccc1NCCc1ncn[nH]1.
What is the InChIKey of 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline?
The InChIKey is BCRBBBUCNGIYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-9-4-2-3-5-10(9)12-7-6-11-13-8-14-15-11/h2-5,8,12H,6-7H2,1H3,(H,13,14,15).
What are the key properties of 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline?
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline has a molecular weight of 202.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline is sourced from PubChem (CID 61360611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).