1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

C14H19N7O2 — CID 56799033

IUPAC1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESCOc1ccnc(N2CCN(C(=O)CCn3cncn3)CC2)n1
InChIInChI=1S/C14H19N7O2/c1-23-12-2-4-16-14(18-12)20-8-6-19(7-9-20)13(22)3-5-21-11-15-10-17-21/h2,4,10-11H,3,5-9H2,1H3
InChIKeyOXDGVJWSPOZFAP-UHFFFAOYSA-N
MW317.35 g/mol
LogP-0.18
Rot. Bonds5

About 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 56799033) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID56799033
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESCOc1ccnc(N2CCN(C(=O)CCn3cncn3)CC2)n1
InChIInChI=1S/C14H19N7O2/c1-23-12-2-4-16-14(18-12)20-8-6-19(7-9-20)13(22)3-5-21-11-15-10-17-21/h2,4,10-11H,3,5-9H2,1H3
InChIKeyOXDGVJWSPOZFAP-UHFFFAOYSA-N
XLogP-0.18
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-1-one
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3-(1,3-benzodioxol-5-yl)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-1-one
CID 77088462
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(2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95589754
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
1-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 122344533
1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone
CID 60550260
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one (CID 56799033) is 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one is COc1ccnc(N2CCN(C(=O)CCn3cncn3)CC2)n1.
What is the InChIKey of 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is OXDGVJWSPOZFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2/c1-23-12-2-4-16-14(18-12)20-8-6-19(7-9-20)13(22)3-5-21-11-15-10-17-21/h2,4,10-11H,3,5-9H2,1H3.
What are the key properties of 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 317.35 g/mol, XLogP of -0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 56799033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).