N-[furan-2-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine

C9H12N4O — CID 65360723

IUPACN-[furan-2-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ncn[nH]1)c1ccco1
InChIInChI=1S/C9H12N4O/c1-2-10-8(7-4-3-5-14-7)9-11-6-12-13-9/h3-6,8,10H,2H2,1H3,(H,11,12,13)
InChIKeyRTNYAMPPXMLYMA-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.10
Rot. Bonds4

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

N-[furan-2-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine (PubChem CID 65360723) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is N-[furan-2-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[furan-2-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
PubChem CID65360723
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC NameN-[furan-2-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ncn[nH]1)c1ccco1
InChIInChI=1S/C9H12N4O/c1-2-10-8(7-4-3-5-14-7)9-11-6-12-13-9/h3-6,8,10H,2H2,1H3,(H,11,12,13)
InChIKeyRTNYAMPPXMLYMA-UHFFFAOYSA-N
XLogP1.10
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[furan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 65360300
N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine
CID 62715603
N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951879
N-[(2,3-difluorophenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 65360302
N-[furan-2-yl(isoquinolin-1-yl)methyl]ethanamine
CID 63950200
N-[(2,6-dimethyl-4-pyridinyl)-(furan-2-yl)methyl]ethanamine
CID 107503948
1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 64548306
1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64548319
N-[(2,4-dimethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 65360353
N-[(4-ethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489388
N-[3,4-dihydro-2H-chromen-8-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 114745552
6-[ethylamino(furan-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43490490

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[furan-2-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine (CID 65360723) is N-[furan-2-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[furan-2-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[furan-2-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine is CCNC(c1ncn[nH]1)c1ccco1.
What is the InChIKey of N-[furan-2-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine?
The InChIKey is RTNYAMPPXMLYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-2-10-8(7-4-3-5-14-7)9-11-6-12-13-9/h3-6,8,10H,2H2,1H3,(H,11,12,13).
What are the key properties of N-[furan-2-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine?
N-[furan-2-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine has a molecular weight of 192.22 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 65360723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).