5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,3-dihydro-1H-1,2,4-triazol-3-amine

C11H22N6 — CID 126669700

IUPAC5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,3-dihydro-1H-1,2,4-triazol-3-amine
SMILESNC1N=C(N2CCC(N3CCCC3)CC2)NN1
InChIInChI=1S/C11H22N6/c12-10-13-11(15-14-10)17-7-3-9(4-8-17)16-5-1-2-6-16/h9-10,14H,1-8,12H2,(H,13,15)
InChIKeyMAKOCVFJOCOBTN-UHFFFAOYSA-N
MW238.34 g/mol
LogP-0.75
Rot. Bonds1

About 5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,3-dihydro-1H-1,2,4-triazol-3-amine

5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,3-dihydro-1H-1,2,4-triazol-3-amine (PubChem CID 126669700) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is 5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,3-dihydro-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,3-dihydro-1H-1,2,4-triazol-3-amine
PubChem CID126669700
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,3-dihydro-1H-1,2,4-triazol-3-amine
SMILESNC1N=C(N2CCC(N3CCCC3)CC2)NN1
InChIInChI=1S/C11H22N6/c12-10-13-11(15-14-10)17-7-3-9(4-8-17)16-5-1-2-6-16/h9-10,14H,1-8,12H2,(H,13,15)
InChIKeyMAKOCVFJOCOBTN-UHFFFAOYSA-N
XLogP-0.75
TPSA68.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,3-dihydro-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,3-dihydro-1H-1,2,4-triazol-3-amine (CID 126669700) is 5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,3-dihydro-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,3-dihydro-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,3-dihydro-1H-1,2,4-triazol-3-amine is NC1N=C(N2CCC(N3CCCC3)CC2)NN1.
What is the InChIKey of 5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,3-dihydro-1H-1,2,4-triazol-3-amine?
The InChIKey is MAKOCVFJOCOBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c12-10-13-11(15-14-10)17-7-3-9(4-8-17)16-5-1-2-6-16/h9-10,14H,1-8,12H2,(H,13,15).
What are the key properties of 5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,3-dihydro-1H-1,2,4-triazol-3-amine?
5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,3-dihydro-1H-1,2,4-triazol-3-amine has a molecular weight of 238.34 g/mol, XLogP of -0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,3-dihydro-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 126669700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).