1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine

C15H28N6 — CID 80553294

IUPAC1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESCC(C)n1ncnc1CN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C15H28N6/c1-12(2)21-15(17-11-18-21)10-19-6-5-14(9-19)20-7-3-13(16)4-8-20/h11-14H,3-10,16H2,1-2H3
InChIKeyXZEGJANPLOTGTP-UHFFFAOYSA-N
MW292.43 g/mol
LogP0.86
Rot. Bonds4

About 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine

1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80553294) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80553294
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESCC(C)n1ncnc1CN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C15H28N6/c1-12(2)21-15(17-11-18-21)10-19-6-5-14(9-19)20-7-3-13(16)4-8-20/h11-14H,3-10,16H2,1-2H3
InChIKeyXZEGJANPLOTGTP-UHFFFAOYSA-N
XLogP0.86
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine (CID 80553294) is 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine is CC(C)n1ncnc1CN1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is XZEGJANPLOTGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-12(2)21-15(17-11-18-21)10-19-6-5-14(9-19)20-7-3-13(16)4-8-20/h11-14H,3-10,16H2,1-2H3.
What are the key properties of 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine?
1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 292.43 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80553294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).