1-(furan-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine

C11H16N4O — CID 62633450

IUPAC1-(furan-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
SMILESCCC(NCc1nncn1C)c1ccco1
InChIInChI=1S/C11H16N4O/c1-3-9(10-5-4-6-16-10)12-7-11-14-13-8-15(11)2/h4-6,8-9,12H,3,7H2,1-2H3
InChIKeyKKDDCUSORQTZGS-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.65
Rot. Bonds5

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

1-(furan-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine (PubChem CID 62633450) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
PubChem CID62633450
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-(furan-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
SMILESCCC(NCc1nncn1C)c1ccco1
InChIInChI=1S/C11H16N4O/c1-3-9(10-5-4-6-16-10)12-7-11-14-13-8-15(11)2/h4-6,8-9,12H,3,7H2,1-2H3
InChIKeyKKDDCUSORQTZGS-UHFFFAOYSA-N
XLogP1.65
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpropan-1-amine
CID 54896093
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)-1-(1-methylimidazol-2-yl)methanamine
CID 106302264
1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 62633957
N-[1-(furan-2-yl)propyl]-1,3,5-trimethylpyrazol-4-amine
CID 62632681
1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
CID 62633449
1-(furan-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 62634003
N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
CID 62633441
4-[[1-(furan-2-yl)propylamino]methyl]benzenesulfonamide
CID 62632675
1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114698636
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111303983
1-(2-methylpyrazol-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 106757633
1-(furan-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-1-amine
CID 62633765

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The IUPAC name of 1-(furan-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine (CID 62633450) is 1-(furan-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine is CCC(NCc1nncn1C)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The InChIKey is KKDDCUSORQTZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-9(10-5-4-6-16-10)12-7-11-14-13-8-15(11)2/h4-6,8-9,12H,3,7H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
1-(furan-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine has a molecular weight of 220.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 62633450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).