N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine

C15H17N5O — CID 61167524

IUPACN-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCC(CCc1ccco1)Nc1cccnc1-n1cncn1
InChIInChI=1S/C15H17N5O/c1-12(6-7-13-4-3-9-21-13)19-14-5-2-8-17-15(14)20-11-16-10-18-20/h2-5,8-12,19H,6-7H2,1H3
InChIKeyBWLWPEDAJVGCHR-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.69
Rot. Bonds6

About N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine

N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 61167524) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID61167524
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCC(CCc1ccco1)Nc1cccnc1-n1cncn1
InChIInChI=1S/C15H17N5O/c1-12(6-7-13-4-3-9-21-13)19-14-5-2-8-17-15(14)20-11-16-10-18-20/h2-5,8-12,19H,6-7H2,1H3
InChIKeyBWLWPEDAJVGCHR-UHFFFAOYSA-N
XLogP2.69
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline
CID 63084439
N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091723
N-(2,6-dimethylheptan-4-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167513
N-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61166360
N-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 47007393
N-(5-methylhexan-2-yl)-2-pyrazol-1-ylpyridin-3-amine
CID 43736970
[2-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43743342
N-[4-(furan-2-yl)butan-2-yl]pyridazin-3-amine
CID 62482242
N-[4-(furan-2-yl)butan-2-yl]-6-pyrazol-1-ylpyrazin-2-amine
CID 71940133
2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxamide
CID 60726854
3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine
CID 54968206
N-[4-(furan-2-yl)butan-2-yl]-2-methylquinolin-4-amine
CID 60716310

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 61167524) is N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine is CC(CCc1ccco1)Nc1cccnc1-n1cncn1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is BWLWPEDAJVGCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-12(6-7-13-4-3-9-21-13)19-14-5-2-8-17-15(14)20-11-16-10-18-20/h2-5,8-12,19H,6-7H2,1H3.
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 283.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 61167524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).