N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine

C13H20N4O — CID 62447526

IUPACN-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCc1nc(C)n(Cc2ccoc2CNC(C)C)n1
InChIInChI=1S/C13H20N4O/c1-9(2)14-7-13-12(5-6-18-13)8-17-11(4)15-10(3)16-17/h5-6,9,14H,7-8H2,1-4H3
InChIKeyKUMXEKXLWQCDGG-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.03
Rot. Bonds5

About N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine

N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 62447526) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID62447526
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCc1nc(C)n(Cc2ccoc2CNC(C)C)n1
InChIInChI=1S/C13H20N4O/c1-9(2)14-7-13-12(5-6-18-13)8-17-11(4)15-10(3)16-17/h5-6,9,14H,7-8H2,1-4H3
InChIKeyKUMXEKXLWQCDGG-UHFFFAOYSA-N
XLogP2.03
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]furan-2-carboxamide
CID 6499832
Furan-2-carboxylic acid [2-(3,5-dimethyl-[1,2,4]triazol-1-yl)-ethyl]-amide
CID 6499844
1-[1-(1-Furan-2-ylmethyl-1H-tetrazol-5-yl)-propyl]-piperidine-4-carboxylic acid amide
CID 6603081
1-[1-(1-Furan-2-ylmethyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperidine-4-carboxylic acid amide
CID 3210051
1-[1-[1-(Furan-2-ylmethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
CID 645823
2-{[4-(Furan-2-ylmethyl)-5-(2-methylfuran-3-YL)-1,2,4-triazol-3-YL]sulfanyl}-N-(sec-butyl)acetamide
CID 3213941
3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(furan-2-ylmethyl)urea
CID 51084101
1-(2-furylmethyl)-4-[5-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 53192318
3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 53500899
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 53526395
2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 53571630
2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 53587864

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (CID 62447526) is N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine is Cc1nc(C)n(Cc2ccoc2CNC(C)C)n1.
What is the InChIKey of N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is KUMXEKXLWQCDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(2)14-7-13-12(5-6-18-13)8-17-11(4)15-10(3)16-17/h5-6,9,14H,7-8H2,1-4H3.
What are the key properties of N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 248.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62447526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).