5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline

C10H11ClN4 — CID 43228690

IUPAC5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline
SMILESCCNc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C10H11ClN4/c1-2-13-9-5-8(11)3-4-10(9)15-7-12-6-14-15/h3-7,13H,2H2,1H3
InChIKeyKLUBSYSWOHAXON-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.35
Rot. Bonds3

About 5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline

5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline (PubChem CID 43228690) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline
PubChem CID43228690
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline
SMILESCCNc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C10H11ClN4/c1-2-13-9-5-8(11)3-4-10(9)15-7-12-6-14-15/h3-7,13H,2H2,1H3
InChIKeyKLUBSYSWOHAXON-UHFFFAOYSA-N
XLogP2.35
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-chloro-2-(1,2,4-triazol-1-yl)anilino]methyl]-2-methylbutan-1-ol
CID 81412888
N-benzyl-5-chloro-2-(1,2,4-triazol-1-yl)aniline
CID 43231355
5-chloro-N-[(3-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43231643
5-chloro-N-(1H-pyrrol-3-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline
CID 66410465
5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 60941998
5-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62742338
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(ethylamino)propanamide
CID 62833924
3-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-methylbutan-2-ol
CID 65337859
N-[(3-bromothiophen-2-yl)methyl]-5-chloro-2-(1,2,4-triazol-1-yl)aniline
CID 115379899
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(ethylamino)butanamide
CID 62838457
2-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 62855749
2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanesulfonamide
CID 107650644

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of 5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline (CID 43228690) is 5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for 5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for 5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline is CCNc1cc(Cl)ccc1-n1cncn1.
What is the InChIKey of 5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline?
The InChIKey is KLUBSYSWOHAXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-2-13-9-5-8(11)3-4-10(9)15-7-12-6-14-15/h3-7,13H,2H2,1H3.
What are the key properties of 5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline?
5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline has a molecular weight of 222.68 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 43228690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).