1-propyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]piperidin-4-amine

C18H24N6 — CID 67653680

IUPAC1-propyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]piperidin-4-amine
SMILESCCCN1CCC(N)CC1c1c[nH]c2ccc(-n3cnnc3)cc12
InChIInChI=1S/C18H24N6/c1-2-6-23-7-5-13(19)8-18(23)16-10-20-17-4-3-14(9-15(16)17)24-11-21-22-12-24/h3-4,9-13,18,20H,2,5-8,19H2,1H3
InChIKeyVLNOZNJBPFILIJ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.62
Rot. Bonds4

About 1-propyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]piperidin-4-amine

1-propyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]piperidin-4-amine (PubChem CID 67653680) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-propyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-propyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]piperidin-4-amine
PubChem CID67653680
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name1-propyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]piperidin-4-amine
SMILESCCCN1CCC(N)CC1c1c[nH]c2ccc(-n3cnnc3)cc12
InChIInChI=1S/C18H24N6/c1-2-6-23-7-5-13(19)8-18(23)16-10-20-17-4-3-14(9-15(16)17)24-11-21-22-12-24/h3-4,9-13,18,20H,2,5-8,19H2,1H3
InChIKeyVLNOZNJBPFILIJ-UHFFFAOYSA-N
XLogP2.62
TPSA75.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]piperidin-4-amine?
The IUPAC name of 1-propyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]piperidin-4-amine (CID 67653680) is 1-propyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-propyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]piperidin-4-amine?
The canonical SMILES for 1-propyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]piperidin-4-amine is CCCN1CCC(N)CC1c1c[nH]c2ccc(-n3cnnc3)cc12.
What is the InChIKey of 1-propyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]piperidin-4-amine?
The InChIKey is VLNOZNJBPFILIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-2-6-23-7-5-13(19)8-18(23)16-10-20-17-4-3-14(9-15(16)17)24-11-21-22-12-24/h3-4,9-13,18,20H,2,5-8,19H2,1H3.
What are the key properties of 1-propyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]piperidin-4-amine?
1-propyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]piperidin-4-amine has a molecular weight of 324.43 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]piperidin-4-amine is sourced from PubChem (CID 67653680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).