1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one

C9H15N5O — CID 141318848

IUPAC1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C9H15N5O/c1-2-8(15)13-3-5-14(6-4-13)9-10-7-11-12-9/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyDJZDCDJQOSCSKS-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.14
Rot. Bonds2

About 1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one

1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one (PubChem CID 141318848) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
PubChem CID141318848
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C9H15N5O/c1-2-8(15)13-3-5-14(6-4-13)9-10-7-11-12-9/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyDJZDCDJQOSCSKS-UHFFFAOYSA-N
XLogP-0.14
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one (CID 141318848) is 1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2ncn[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one?
The InChIKey is DJZDCDJQOSCSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-2-8(15)13-3-5-14(6-4-13)9-10-7-11-12-9/h7H,2-6H2,1H3,(H,10,11,12).
What are the key properties of 1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one?
1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one has a molecular weight of 209.25 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 141318848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).