1-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylpropan-2-amine

C19H34N6 — CID 70782280

IUPAC1-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylpropan-2-amine
SMILESCC(C)(N)CN1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1
InChIInChI=1S/C19H34N6/c1-19(2,20)14-24-11-7-15(8-12-24)18-22-21-17(25(18)16-5-6-16)13-23-9-3-4-10-23/h15-16H,3-14,20H2,1-2H3
InChIKeyXIRGATMLMZQMCE-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.13
Rot. Bonds6

About 1-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylpropan-2-amine

1-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylpropan-2-amine (PubChem CID 70782280) has the molecular formula C19H34N6 and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylpropan-2-amine
PubChem CID70782280
Molecular FormulaC19H34N6
Molecular Weight346.52 g/mol
Exact Mass346.28
IUPAC Name1-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylpropan-2-amine
SMILESCC(C)(N)CN1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1
InChIInChI=1S/C19H34N6/c1-19(2,20)14-24-11-7-15(8-12-24)18-22-21-17(25(18)16-5-6-16)13-23-9-3-4-10-23/h15-16H,3-14,20H2,1-2H3
InChIKeyXIRGATMLMZQMCE-UHFFFAOYSA-N
XLogP2.13
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylpropan-2-amine (CID 70782280) is 1-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylpropan-2-amine is CC(C)(N)CN1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1.
What is the InChIKey of 1-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylpropan-2-amine?
The InChIKey is XIRGATMLMZQMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6/c1-19(2,20)14-24-11-7-15(8-12-24)18-22-21-17(25(18)16-5-6-16)13-23-9-3-4-10-23/h15-16H,3-14,20H2,1-2H3.
What are the key properties of 1-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylpropan-2-amine?
1-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylpropan-2-amine has a molecular weight of 346.52 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 70782280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).