1-methyl-4-[(2S)-1-[4-(1-propylimidazol-2-yl)triazol-1-yl]propan-2-yl]piperazine

C16H27N7 — CID 97130706

IUPAC1-methyl-4-[(2S)-1-[4-(1-propylimidazol-2-yl)triazol-1-yl]propan-2-yl]piperazine
SMILESCCCn1ccnc1-c1cn(C[C@H](C)N2CCN(C)CC2)nn1
InChIInChI=1S/C16H27N7/c1-4-6-22-7-5-17-16(22)15-13-23(19-18-15)12-14(2)21-10-8-20(3)9-11-21/h5,7,13-14H,4,6,8-12H2,1-3H3/t14-/m0/s1
InChIKeyJSGLYNUDSBXXHK-AWEZNQCLSA-N
MW317.44 g/mol
LogP1.19
Rot. Bonds6

About 1-methyl-4-[(2S)-1-[4-(1-propylimidazol-2-yl)triazol-1-yl]propan-2-yl]piperazine

1-methyl-4-[(2S)-1-[4-(1-propylimidazol-2-yl)triazol-1-yl]propan-2-yl]piperazine (PubChem CID 97130706) has the molecular formula C16H27N7 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-methyl-4-[(2S)-1-[4-(1-propylimidazol-2-yl)triazol-1-yl]propan-2-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(2S)-1-[4-(1-propylimidazol-2-yl)triazol-1-yl]propan-2-yl]piperazine
PubChem CID97130706
Molecular FormulaC16H27N7
Molecular Weight317.44 g/mol
Exact Mass317.23
IUPAC Name1-methyl-4-[(2S)-1-[4-(1-propylimidazol-2-yl)triazol-1-yl]propan-2-yl]piperazine
SMILESCCCn1ccnc1-c1cn(C[C@H](C)N2CCN(C)CC2)nn1
InChIInChI=1S/C16H27N7/c1-4-6-22-7-5-17-16(22)15-13-23(19-18-15)12-14(2)21-10-8-20(3)9-11-21/h5,7,13-14H,4,6,8-12H2,1-3H3/t14-/m0/s1
InChIKeyJSGLYNUDSBXXHK-AWEZNQCLSA-N
XLogP1.19
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2S)-1-[4-(1-propylimidazol-2-yl)triazol-1-yl]propan-2-yl]piperazine?
The IUPAC name of 1-methyl-4-[(2S)-1-[4-(1-propylimidazol-2-yl)triazol-1-yl]propan-2-yl]piperazine (CID 97130706) is 1-methyl-4-[(2S)-1-[4-(1-propylimidazol-2-yl)triazol-1-yl]propan-2-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[(2S)-1-[4-(1-propylimidazol-2-yl)triazol-1-yl]propan-2-yl]piperazine?
The canonical SMILES for 1-methyl-4-[(2S)-1-[4-(1-propylimidazol-2-yl)triazol-1-yl]propan-2-yl]piperazine is CCCn1ccnc1-c1cn(C[C@H](C)N2CCN(C)CC2)nn1.
What is the InChIKey of 1-methyl-4-[(2S)-1-[4-(1-propylimidazol-2-yl)triazol-1-yl]propan-2-yl]piperazine?
The InChIKey is JSGLYNUDSBXXHK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27N7/c1-4-6-22-7-5-17-16(22)15-13-23(19-18-15)12-14(2)21-10-8-20(3)9-11-21/h5,7,13-14H,4,6,8-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-methyl-4-[(2S)-1-[4-(1-propylimidazol-2-yl)triazol-1-yl]propan-2-yl]piperazine?
1-methyl-4-[(2S)-1-[4-(1-propylimidazol-2-yl)triazol-1-yl]propan-2-yl]piperazine has a molecular weight of 317.44 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2S)-1-[4-(1-propylimidazol-2-yl)triazol-1-yl]propan-2-yl]piperazine is sourced from PubChem (CID 97130706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).