1-[4-cyclopropyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

C19H29N5O — CID 70726475

IUPAC1-[4-cyclopropyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCc1ccc(CN2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)o1
InChIInChI=1S/C19H29N5O/c1-14-4-7-17(25-14)12-23-10-8-15(9-11-23)19-21-20-18(13-22(2)3)24(19)16-5-6-16/h4,7,15-16H,5-6,8-13H2,1-3H3
InChIKeyJXIPMGNQCXVPAK-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.96
Rot. Bonds6

About 1-[4-cyclopropyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

1-[4-cyclopropyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (PubChem CID 70726475) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-[4-cyclopropyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
PubChem CID70726475
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-[4-cyclopropyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCc1ccc(CN2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)o1
InChIInChI=1S/C19H29N5O/c1-14-4-7-17(25-14)12-23-10-8-15(9-11-23)19-21-20-18(13-22(2)3)24(19)16-5-6-16/h4,7,15-16H,5-6,8-13H2,1-3H3
InChIKeyJXIPMGNQCXVPAK-UHFFFAOYSA-N
XLogP2.96
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (CID 70726475) is 1-[4-cyclopropyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is Cc1ccc(CN2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)o1.
What is the InChIKey of 1-[4-cyclopropyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is JXIPMGNQCXVPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-14-4-7-17(25-14)12-23-10-8-15(9-11-23)19-21-20-18(13-22(2)3)24(19)16-5-6-16/h4,7,15-16H,5-6,8-13H2,1-3H3.
What are the key properties of 1-[4-cyclopropyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
1-[4-cyclopropyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 343.48 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 70726475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).