3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

C16H29N5 — CID 91782942

IUPAC3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCCC1CCN(Cc2nnc(C3CC(N)C3)n2C)CC1
InChIInChI=1S/C16H29N5/c1-3-4-12-5-7-21(8-6-12)11-15-18-19-16(20(15)2)13-9-14(17)10-13/h12-14H,3-11,17H2,1-2H3
InChIKeyJEQGADYUTYDLKD-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.03
Rot. Bonds5

About 3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91782942) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91782942
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCCC1CCN(Cc2nnc(C3CC(N)C3)n2C)CC1
InChIInChI=1S/C16H29N5/c1-3-4-12-5-7-21(8-6-12)11-15-18-19-16(20(15)2)13-9-14(17)10-13/h12-14H,3-11,17H2,1-2H3
InChIKeyJEQGADYUTYDLKD-UHFFFAOYSA-N
XLogP2.03
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91782942) is 3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is CCCC1CCN(Cc2nnc(C3CC(N)C3)n2C)CC1.
What is the InChIKey of 3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is JEQGADYUTYDLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-3-4-12-5-7-21(8-6-12)11-15-18-19-16(20(15)2)13-9-14(17)10-13/h12-14H,3-11,17H2,1-2H3.
What are the key properties of 3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 291.44 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 3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91782942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).