1-[(1-propan-2-ylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine

C13H21N7 — CID 118772218

IUPAC1-[(1-propan-2-ylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
SMILESCC(C)n1ccnc1CN1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C13H21N7/c1-11(2)20-4-3-14-12(20)9-18-5-7-19(8-6-18)13-15-10-16-17-13/h3-4,10-11H,5-9H2,1-2H3,(H,15,16,17)
InChIKeyRZRSSJROPMSJQZ-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.90
Rot. Bonds4

About 1-[(1-propan-2-ylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine

1-[(1-propan-2-ylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine (PubChem CID 118772218) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[(1-propan-2-ylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine.

Molecular Properties

Compound Name1-[(1-propan-2-ylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
PubChem CID118772218
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name1-[(1-propan-2-ylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
SMILESCC(C)n1ccnc1CN1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C13H21N7/c1-11(2)20-4-3-14-12(20)9-18-5-7-19(8-6-18)13-15-10-16-17-13/h3-4,10-11H,5-9H2,1-2H3,(H,15,16,17)
InChIKeyRZRSSJROPMSJQZ-UHFFFAOYSA-N
XLogP0.90
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine?
The IUPAC name of 1-[(1-propan-2-ylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine (CID 118772218) is 1-[(1-propan-2-ylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine.
What is the SMILES notation for 1-[(1-propan-2-ylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine?
The canonical SMILES for 1-[(1-propan-2-ylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine is CC(C)n1ccnc1CN1CCN(c2ncn[nH]2)CC1.
What is the InChIKey of 1-[(1-propan-2-ylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine?
The InChIKey is RZRSSJROPMSJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-11(2)20-4-3-14-12(20)9-18-5-7-19(8-6-18)13-15-10-16-17-13/h3-4,10-11H,5-9H2,1-2H3,(H,15,16,17).
What are the key properties of 1-[(1-propan-2-ylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine?
1-[(1-propan-2-ylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine has a molecular weight of 275.36 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine is sourced from PubChem (CID 118772218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).