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

C12H18N4O — CID 50950790

IUPAC1-(furan-3-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCC(C)n1cnnc1CN(C)Cc1ccoc1
InChIInChI=1S/C12H18N4O/c1-10(2)16-9-13-14-12(16)7-15(3)6-11-4-5-17-8-11/h4-5,8-10H,6-7H2,1-3H3
InChIKeyUAZDBOXAWNAFDH-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.08
Rot. Bonds5

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

1-(furan-3-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 50950790) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID50950790
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-(furan-3-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCC(C)n1cnnc1CN(C)Cc1ccoc1
InChIInChI=1S/C12H18N4O/c1-10(2)16-9-13-14-12(16)7-15(3)6-11-4-5-17-8-11/h4-5,8-10H,6-7H2,1-3H3
InChIKeyUAZDBOXAWNAFDH-UHFFFAOYSA-N
XLogP2.08
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(furan-3-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine (CID 50950790) is 1-(furan-3-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(furan-3-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine is CC(C)n1cnnc1CN(C)Cc1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is UAZDBOXAWNAFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-10(2)16-9-13-14-12(16)7-15(3)6-11-4-5-17-8-11/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 1-(furan-3-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(furan-3-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 234.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 50950790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).