N-(furan-2-ylmethyl)-4-(triazol-2-yl)aniline

C13H12N4O — CID 43740320

IUPACN-(furan-2-ylmethyl)-4-(triazol-2-yl)aniline
SMILESc1coc(CNc2ccc(-n3nccn3)cc2)c1
InChIInChI=1S/C13H12N4O/c1-2-13(18-9-1)10-14-11-3-5-12(6-4-11)17-15-7-8-16-17/h1-9,14H,10H2
InChIKeyUIYMNMSNGRAVSJ-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.47
Rot. Bonds4

About N-(furan-2-ylmethyl)-4-(triazol-2-yl)aniline

N-(furan-2-ylmethyl)-4-(triazol-2-yl)aniline (PubChem CID 43740320) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(triazol-2-yl)aniline.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(triazol-2-yl)aniline
PubChem CID43740320
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-(furan-2-ylmethyl)-4-(triazol-2-yl)aniline
SMILESc1coc(CNc2ccc(-n3nccn3)cc2)c1
InChIInChI=1S/C13H12N4O/c1-2-13(18-9-1)10-14-11-3-5-12(6-4-11)17-15-7-8-16-17/h1-9,14H,10H2
InChIKeyUIYMNMSNGRAVSJ-UHFFFAOYSA-N
XLogP2.47
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-4-(triazol-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline
CID 43739947
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline
CID 83949682
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
[4-[[4-(triazol-2-yl)anilino]methyl]phenyl]methanol
CID 110006513
N-(furan-2-ylmethyl)-4-methylsulfonylaniline
CID 3511468
N-[(4,5-dibromothiophen-2-yl)methyl]-4-(triazol-2-yl)aniline
CID 102833743
1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea
CID 112981834
N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide
CID 54866288
5-(furan-2-ylmethylamino)-1-methylpyridin-2-one
CID 60930782
4-(furan-2-ylmethylamino)pyridine-2-carbonitrile
CID 62924814
N-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline
CID 43427557
6-[[4-(triazol-2-yl)anilino]methyl]pyridin-3-ol
CID 79782863

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(triazol-2-yl)aniline?
The IUPAC name of N-(furan-2-ylmethyl)-4-(triazol-2-yl)aniline (CID 43740320) is N-(furan-2-ylmethyl)-4-(triazol-2-yl)aniline.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(triazol-2-yl)aniline?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(triazol-2-yl)aniline is c1coc(CNc2ccc(-n3nccn3)cc2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(triazol-2-yl)aniline?
The InChIKey is UIYMNMSNGRAVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-2-13(18-9-1)10-14-11-3-5-12(6-4-11)17-15-7-8-16-17/h1-9,14H,10H2.
What are the key properties of N-(furan-2-ylmethyl)-4-(triazol-2-yl)aniline?
N-(furan-2-ylmethyl)-4-(triazol-2-yl)aniline has a molecular weight of 240.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(triazol-2-yl)aniline is sourced from PubChem (CID 43740320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).