N-[1-(5-methylfuran-2-yl)ethyl]-4-(triazol-2-yl)aniline

C15H16N4O — CID 43740382

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-4-(triazol-2-yl)aniline
SMILESCc1ccc(C(C)Nc2ccc(-n3nccn3)cc2)o1
InChIInChI=1S/C15H16N4O/c1-11-3-8-15(20-11)12(2)18-13-4-6-14(7-5-13)19-16-9-10-17-19/h3-10,12,18H,1-2H3
InChIKeyKUNXWRIFKHGWBH-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.34
Rot. Bonds4

About N-[1-(5-methylfuran-2-yl)ethyl]-4-(triazol-2-yl)aniline

N-[1-(5-methylfuran-2-yl)ethyl]-4-(triazol-2-yl)aniline (PubChem CID 43740382) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-4-(triazol-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-4-(triazol-2-yl)aniline
PubChem CID43740382
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-4-(triazol-2-yl)aniline
SMILESCc1ccc(C(C)Nc2ccc(-n3nccn3)cc2)o1
InChIInChI=1S/C15H16N4O/c1-11-3-8-15(20-11)12(2)18-13-4-6-14(7-5-13)19-16-9-10-17-19/h3-10,12,18H,1-2H3
InChIKeyKUNXWRIFKHGWBH-UHFFFAOYSA-N
XLogP3.34
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-methylfuran-2-yl)ethyl]pyridin-4-amine
CID 61039528
N-[1-(4-methylphenyl)ethyl]-4-(triazol-2-yl)aniline
CID 43740371
N-pentan-3-yl-4-(triazol-2-yl)aniline
CID 43740373
6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine
CID 43710701
2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]isoindole-1,3-dione
CID 43192242
2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile
CID 43722297
methyl N-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 43730320
N-[1-(5-methyl-1-phenyltriazol-4-yl)ethyl]-4-(triazol-2-yl)aniline
CID 146087804
4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 61477977
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43189724
N-[1-(5-methylfuran-2-yl)ethyl]-6-nitropyridin-3-amine
CID 62543911
N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193618

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-4-(triazol-2-yl)aniline?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-4-(triazol-2-yl)aniline (CID 43740382) is N-[1-(5-methylfuran-2-yl)ethyl]-4-(triazol-2-yl)aniline.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-4-(triazol-2-yl)aniline?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-4-(triazol-2-yl)aniline is Cc1ccc(C(C)Nc2ccc(-n3nccn3)cc2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-4-(triazol-2-yl)aniline?
The InChIKey is KUNXWRIFKHGWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11-3-8-15(20-11)12(2)18-13-4-6-14(7-5-13)19-16-9-10-17-19/h3-10,12,18H,1-2H3.
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-4-(triazol-2-yl)aniline?
N-[1-(5-methylfuran-2-yl)ethyl]-4-(triazol-2-yl)aniline has a molecular weight of 268.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-4-(triazol-2-yl)aniline is sourced from PubChem (CID 43740382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).