5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

C14H24N6 — CID 167860090

IUPAC5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESc1nc2n(n1)C(CN1CCC(N3CCNCC3)C1)CC2
InChIInChI=1S/C14H24N6/c1-2-14-16-11-17-20(14)13(1)10-18-6-3-12(9-18)19-7-4-15-5-8-19/h11-13,15H,1-10H2
InChIKeyLTKBLBUJRYTPCL-UHFFFAOYSA-N
MW276.39 g/mol
LogP-0.26
Rot. Bonds3

About 5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 167860090) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID167860090
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESc1nc2n(n1)C(CN1CCC(N3CCNCC3)C1)CC2
InChIInChI=1S/C14H24N6/c1-2-14-16-11-17-20(14)13(1)10-18-6-3-12(9-18)19-7-4-15-5-8-19/h11-13,15H,1-10H2
InChIKeyLTKBLBUJRYTPCL-UHFFFAOYSA-N
XLogP-0.26
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-5H,6H,7H-pyrrolo[1,2-b][1,2,4]triazol-7-amine
CID 122163384
4-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1-tetrahydro-1H-pyrrol-3-ylpiperidine
CID 53192542
(1S,7S)-3-(trifluoromethyl)-2,4,5,8-tetrazatricyclo[5.2.1.02,6]deca-3,5-diene
CID 78321345
3-(Trifluoromethyl)-2,4,5,8-tetrazatricyclo[5.2.1.02,6]deca-3,5-diene
CID 123565280
4H-1,2,4-triazole, 4-(1-methylethyl)-3-(2-pyrrolidinyl)-
CID 62695658
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71893454
8-(Pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
CID 54255630
N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
CID 65602643
N-methyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
CID 126578125
6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-7-amine
CID 170555630
Spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,4'-piperidine]-7-amine
CID 176014718
3-piperidin-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 43142776

Frequently Asked Questions

What is the IUPAC name of 5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of 5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (CID 167860090) is 5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for 5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is c1nc2n(n1)C(CN1CCC(N3CCNCC3)C1)CC2.
What is the InChIKey of 5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is LTKBLBUJRYTPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-2-14-16-11-17-20(14)13(1)10-18-6-3-12(9-18)19-7-4-15-5-8-19/h11-13,15H,1-10H2.
What are the key properties of 5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 276.39 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 167860090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).